USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 SER OG : rot -179:sc= -0.99 USER MOD Set 1.2: A 126 MET CE :methyl -154:sc= -0.129 (180deg=0) USER MOD Set 2.1: A 96 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 98 GLN :FLIP amide:sc= -1.19 F(o=-1.7,f=-1.2) USER MOD Set 3.1: A 75 HIS : no HE2:sc= -0.576 K(o=-1.8,f=-4.7) USER MOD Set 3.2: A 77 ASN : amide:sc= -1.25 K(o=-1.8,f=-13!) USER MOD Single : A 16 GLN : amide:sc= -12! C(o=-12!,f=-15!) USER MOD Single : A 21 TYR OH : rot 56:sc= -0.0348 USER MOD Single : A 22 ASN : amide:sc= -2.06 K(o=-2.1,f=-11!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot -22:sc= 0.57 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.0013 X(o=0.0013,f=0) USER MOD Single : A 46 THR OG1 : rot -29:sc= 0.529 USER MOD Single : A 47 SER OG : rot 36:sc= 0.598 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -128:sc= -0.104 (180deg=-1.49) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 138:sc= 0.39 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 138:sc= -0.463 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0378 X(o=-0.038,f=0) USER MOD Single : A 115 SER OG : rot 29:sc= 0.189 USER MOD Single : A 119 ASN : amide:sc= -0.0493 X(o=-0.049,f=-0.049) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 GLN : amide:sc= -0.693 X(o=-0.69,f=-0.69) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot -110:sc= -0.867 USER MOD ----------------------------------------------------------------- ATOM 130 N LEU A 12 17.104 8.691 1.276 1.00 0.00 N ATOM 131 CA LEU A 12 15.677 8.985 1.211 1.00 0.00 C ATOM 132 C LEU A 12 14.938 8.363 2.392 1.00 0.00 C ATOM 133 O LEU A 12 13.798 7.920 2.260 1.00 0.00 O ATOM 134 CB LEU A 12 15.088 8.467 -0.103 1.00 0.00 C ATOM 135 CG LEU A 12 15.986 8.592 -1.335 1.00 0.00 C ATOM 136 CD1 LEU A 12 16.797 9.877 -1.277 1.00 0.00 C ATOM 137 CD2 LEU A 12 16.904 7.384 -1.450 1.00 0.00 C ATOM 0 HA LEU A 12 15.552 10.067 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.828 7.417 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.160 9.003 -0.299 1.00 0.00 H new ATOM 0 HG LEU A 12 15.352 8.627 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.430 9.948 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 12 16.122 10.732 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 12 17.422 9.873 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.536 7.490 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 12 17.531 7.317 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.304 6.478 -1.540 1.00 0.00 H new ATOM 149 N GLY A 13 15.596 8.335 3.547 1.00 0.00 N ATOM 150 CA GLY A 13 14.985 7.768 4.735 1.00 0.00 C ATOM 151 C GLY A 13 14.529 6.338 4.526 1.00 0.00 C ATOM 152 O GLY A 13 14.840 5.723 3.505 1.00 0.00 O ATOM 0 H GLY A 13 16.541 8.695 3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.699 7.802 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.131 8.379 5.028 1.00 0.00 H new ATOM 156 N ARG A 14 13.792 5.806 5.495 1.00 0.00 N ATOM 157 CA ARG A 14 13.295 4.437 5.413 1.00 0.00 C ATOM 158 C ARG A 14 11.795 4.386 5.688 1.00 0.00 C ATOM 159 O ARG A 14 11.227 5.316 6.261 1.00 0.00 O ATOM 160 CB ARG A 14 14.037 3.542 6.407 1.00 0.00 C ATOM 161 CG ARG A 14 13.752 3.881 7.862 1.00 0.00 C ATOM 162 CD ARG A 14 14.672 3.118 8.802 1.00 0.00 C ATOM 163 NE ARG A 14 15.909 3.848 9.069 1.00 0.00 N ATOM 164 CZ ARG A 14 16.926 3.343 9.757 1.00 0.00 C ATOM 165 NH1 ARG A 14 16.855 2.113 10.245 1.00 0.00 N ATOM 166 NH2 ARG A 14 18.018 4.070 9.959 1.00 0.00 N ATOM 0 H ARG A 14 13.526 6.301 6.346 1.00 0.00 H new ATOM 0 HA ARG A 14 13.474 4.072 4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.761 2.503 6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.109 3.624 6.227 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.877 4.952 8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.714 3.644 8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.153 2.928 9.742 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.910 2.147 8.367 1.00 0.00 H new ATOM 0 HE ARG A 14 15.996 4.798 8.707 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.017 1.551 10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.638 1.728 10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 14 18.076 5.017 9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 14 18.799 3.681 10.488 1.00 0.00 H new ATOM 180 N ILE A 15 11.159 3.295 5.274 1.00 0.00 N ATOM 181 CA ILE A 15 9.726 3.124 5.476 1.00 0.00 C ATOM 182 C ILE A 15 9.421 1.787 6.144 1.00 0.00 C ATOM 183 O ILE A 15 9.996 0.759 5.787 1.00 0.00 O ATOM 184 CB ILE A 15 8.956 3.207 4.145 1.00 0.00 C ATOM 185 CG1 ILE A 15 7.451 3.083 4.392 1.00 0.00 C ATOM 186 CG2 ILE A 15 9.432 2.123 3.189 1.00 0.00 C ATOM 187 CD1 ILE A 15 6.606 3.607 3.252 1.00 0.00 C ATOM 0 H ILE A 15 11.614 2.517 4.797 1.00 0.00 H new ATOM 0 HA ILE A 15 9.400 3.936 6.126 1.00 0.00 H new ATOM 0 HB ILE A 15 9.152 4.178 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.205 2.035 4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.195 3.625 5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.878 2.195 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.496 2.253 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.263 1.144 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.551 3.487 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.824 4.663 3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.834 3.049 2.344 1.00 0.00 H new ATOM 199 N GLN A 16 8.512 1.810 7.113 1.00 0.00 N ATOM 200 CA GLN A 16 8.130 0.599 7.830 1.00 0.00 C ATOM 201 C GLN A 16 6.672 0.243 7.560 1.00 0.00 C ATOM 202 O GLN A 16 5.783 1.085 7.689 1.00 0.00 O ATOM 203 CB GLN A 16 8.353 0.779 9.333 1.00 0.00 C ATOM 204 CG GLN A 16 8.120 -0.489 10.138 1.00 0.00 C ATOM 205 CD GLN A 16 7.861 -0.209 11.605 1.00 0.00 C ATOM 206 OE1 GLN A 16 7.413 0.878 11.972 1.00 0.00 O ATOM 207 NE2 GLN A 16 8.141 -1.190 12.455 1.00 0.00 N ATOM 0 H GLN A 16 8.027 2.653 7.420 1.00 0.00 H new ATOM 0 HA GLN A 16 8.757 -0.218 7.472 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.373 1.124 9.502 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.687 1.560 9.700 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.271 -1.030 9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.990 -1.139 10.044 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.511 -2.075 12.108 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.986 -1.058 13.455 1.00 0.00 H new ATOM 216 N PHE A 17 6.434 -1.009 7.182 1.00 0.00 N ATOM 217 CA PHE A 17 5.083 -1.476 6.892 1.00 0.00 C ATOM 218 C PHE A 17 4.943 -2.963 7.203 1.00 0.00 C ATOM 219 O PHE A 17 5.907 -3.722 7.103 1.00 0.00 O ATOM 220 CB PHE A 17 4.735 -1.215 5.425 1.00 0.00 C ATOM 221 CG PHE A 17 5.650 -1.912 4.459 1.00 0.00 C ATOM 222 CD1 PHE A 17 6.804 -1.291 4.007 1.00 0.00 C ATOM 223 CD2 PHE A 17 5.357 -3.187 4.003 1.00 0.00 C ATOM 224 CE1 PHE A 17 7.648 -1.930 3.118 1.00 0.00 C ATOM 225 CE2 PHE A 17 6.198 -3.830 3.114 1.00 0.00 C ATOM 226 CZ PHE A 17 7.344 -3.200 2.670 1.00 0.00 C ATOM 0 H PHE A 17 7.159 -1.718 7.069 1.00 0.00 H new ATOM 0 HA PHE A 17 4.390 -0.924 7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.710 -1.538 5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.770 -0.142 5.237 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.046 -0.297 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.462 -3.684 4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.545 -1.436 2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.959 -4.824 2.767 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.001 -3.700 1.974 1.00 0.00 H new ATOM 236 N SER A 18 3.736 -3.371 7.582 1.00 0.00 N ATOM 237 CA SER A 18 3.470 -4.766 7.912 1.00 0.00 C ATOM 238 C SER A 18 2.775 -5.476 6.754 1.00 0.00 C ATOM 239 O SER A 18 2.051 -4.855 5.975 1.00 0.00 O ATOM 240 CB SER A 18 2.608 -4.858 9.173 1.00 0.00 C ATOM 241 OG SER A 18 1.229 -4.889 8.847 1.00 0.00 O ATOM 0 H SER A 18 2.927 -2.755 7.668 1.00 0.00 H new ATOM 0 HA SER A 18 4.425 -5.258 8.096 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.873 -5.755 9.734 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.813 -4.005 9.820 1.00 0.00 H new ATOM 0 HG SER A 18 0.699 -4.933 9.670 1.00 0.00 H new ATOM 247 N VAL A 19 3.000 -6.781 6.648 1.00 0.00 N ATOM 248 CA VAL A 19 2.395 -7.577 5.586 1.00 0.00 C ATOM 249 C VAL A 19 1.795 -8.865 6.139 1.00 0.00 C ATOM 250 O VAL A 19 2.420 -9.561 6.938 1.00 0.00 O ATOM 251 CB VAL A 19 3.422 -7.930 4.494 1.00 0.00 C ATOM 252 CG1 VAL A 19 2.777 -8.776 3.407 1.00 0.00 C ATOM 253 CG2 VAL A 19 4.031 -6.665 3.907 1.00 0.00 C ATOM 0 H VAL A 19 3.597 -7.310 7.284 1.00 0.00 H new ATOM 0 HA VAL A 19 1.604 -6.969 5.147 1.00 0.00 H new ATOM 0 HB VAL A 19 4.223 -8.514 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.518 -9.015 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.394 -9.699 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.956 -8.221 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.754 -6.933 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.244 -6.052 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.532 -6.103 4.695 1.00 0.00 H new ATOM 263 N GLY A 20 0.576 -9.177 5.707 1.00 0.00 N ATOM 264 CA GLY A 20 -0.089 -10.381 6.169 1.00 0.00 C ATOM 265 C GLY A 20 -1.385 -10.647 5.430 1.00 0.00 C ATOM 266 O GLY A 20 -2.308 -9.834 5.468 1.00 0.00 O ATOM 0 H GLY A 20 0.038 -8.617 5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.579 -11.233 6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.294 -10.293 7.236 1.00 0.00 H new ATOM 270 N TYR A 21 -1.455 -11.788 4.753 1.00 0.00 N ATOM 271 CA TYR A 21 -2.646 -12.158 3.998 1.00 0.00 C ATOM 272 C TYR A 21 -3.528 -13.108 4.803 1.00 0.00 C ATOM 273 O TYR A 21 -3.041 -13.866 5.640 1.00 0.00 O ATOM 274 CB TYR A 21 -2.253 -12.810 2.672 1.00 0.00 C ATOM 275 CG TYR A 21 -3.420 -13.035 1.738 1.00 0.00 C ATOM 276 CD1 TYR A 21 -3.839 -12.038 0.865 1.00 0.00 C ATOM 277 CD2 TYR A 21 -4.106 -14.243 1.729 1.00 0.00 C ATOM 278 CE1 TYR A 21 -4.906 -12.239 0.010 1.00 0.00 C ATOM 279 CE2 TYR A 21 -5.173 -14.453 0.877 1.00 0.00 C ATOM 280 CZ TYR A 21 -5.569 -13.448 0.020 1.00 0.00 C ATOM 281 OH TYR A 21 -6.632 -13.653 -0.829 1.00 0.00 O ATOM 0 H TYR A 21 -0.700 -12.473 4.712 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.213 -11.249 3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.515 -12.182 2.173 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.772 -13.767 2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.322 -11.090 0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.800 -15.032 2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.219 -11.454 -0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.694 -15.399 0.882 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.348 -13.494 -1.753 1.00 0.00 H new ATOM 291 N ASN A 22 -4.830 -13.059 4.541 1.00 0.00 N ATOM 292 CA ASN A 22 -5.782 -13.915 5.240 1.00 0.00 C ATOM 293 C ASN A 22 -6.340 -14.985 4.306 1.00 0.00 C ATOM 294 O ASN A 22 -6.458 -14.771 3.100 1.00 0.00 O ATOM 295 CB ASN A 22 -6.927 -13.077 5.814 1.00 0.00 C ATOM 296 CG ASN A 22 -7.637 -13.775 6.958 1.00 0.00 C ATOM 297 OD1 ASN A 22 -7.888 -14.979 6.905 1.00 0.00 O ATOM 298 ND2 ASN A 22 -7.964 -13.020 8.000 1.00 0.00 N ATOM 0 H ASN A 22 -5.250 -12.436 3.851 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.256 -14.409 6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.535 -12.121 6.162 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.645 -12.858 5.024 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.443 -13.434 8.800 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.736 -12.026 8.001 1.00 0.00 H new ATOM 305 N PHE A 23 -6.681 -16.138 4.873 1.00 0.00 N ATOM 306 CA PHE A 23 -7.226 -17.242 4.092 1.00 0.00 C ATOM 307 C PHE A 23 -8.746 -17.143 3.997 1.00 0.00 C ATOM 308 O PHE A 23 -9.291 -16.803 2.948 1.00 0.00 O ATOM 309 CB PHE A 23 -6.828 -18.581 4.715 1.00 0.00 C ATOM 310 CG PHE A 23 -5.346 -18.741 4.898 1.00 0.00 C ATOM 311 CD1 PHE A 23 -4.457 -18.106 4.045 1.00 0.00 C ATOM 312 CD2 PHE A 23 -4.841 -19.525 5.923 1.00 0.00 C ATOM 313 CE1 PHE A 23 -3.093 -18.252 4.210 1.00 0.00 C ATOM 314 CE2 PHE A 23 -3.477 -19.674 6.093 1.00 0.00 C ATOM 315 CZ PHE A 23 -2.602 -19.036 5.236 1.00 0.00 C ATOM 0 H PHE A 23 -6.589 -16.332 5.870 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.812 -17.181 3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.318 -18.682 5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.197 -19.390 4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.835 -17.490 3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.521 -20.025 6.597 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.411 -17.753 3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.096 -20.289 6.895 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.536 -19.150 5.368 1.00 0.00 H new ATOM 325 N GLN A 24 -9.422 -17.445 5.101 1.00 0.00 N ATOM 326 CA GLN A 24 -10.879 -17.392 5.142 1.00 0.00 C ATOM 327 C GLN A 24 -11.400 -16.167 4.398 1.00 0.00 C ATOM 328 O GLN A 24 -12.222 -16.284 3.490 1.00 0.00 O ATOM 329 CB GLN A 24 -11.368 -17.371 6.591 1.00 0.00 C ATOM 330 CG GLN A 24 -10.770 -16.244 7.418 1.00 0.00 C ATOM 331 CD GLN A 24 -10.993 -16.432 8.906 1.00 0.00 C ATOM 332 OE1 GLN A 24 -10.177 -17.045 9.595 1.00 0.00 O ATOM 333 NE2 GLN A 24 -12.102 -15.903 9.410 1.00 0.00 N ATOM 0 H GLN A 24 -8.985 -17.729 5.978 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.265 -18.284 4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.454 -17.279 6.598 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.126 -18.324 7.061 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.700 -16.181 7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.209 -15.296 7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.751 -15.403 8.802 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.305 -15.997 10.405 1.00 0.00 H new ATOM 342 N GLU A 25 -10.916 -14.992 4.790 1.00 0.00 N ATOM 343 CA GLU A 25 -11.335 -13.746 4.160 1.00 0.00 C ATOM 344 C GLU A 25 -10.692 -13.588 2.785 1.00 0.00 C ATOM 345 O GLU A 25 -11.212 -12.879 1.923 1.00 0.00 O ATOM 346 CB GLU A 25 -10.969 -12.553 5.046 1.00 0.00 C ATOM 347 CG GLU A 25 -11.952 -12.313 6.180 1.00 0.00 C ATOM 348 CD GLU A 25 -11.673 -11.025 6.931 1.00 0.00 C ATOM 349 OE1 GLU A 25 -10.489 -10.747 7.211 1.00 0.00 O ATOM 350 OE2 GLU A 25 -12.640 -10.296 7.238 1.00 0.00 O ATOM 0 H GLU A 25 -10.234 -14.878 5.540 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.417 -13.778 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.976 -12.714 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.913 -11.656 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.965 -12.283 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.910 -13.151 6.876 1.00 0.00 H new ATOM 357 N SER A 26 -9.559 -14.253 2.588 1.00 0.00 N ATOM 358 CA SER A 26 -8.842 -14.184 1.320 1.00 0.00 C ATOM 359 C SER A 26 -8.569 -12.735 0.929 1.00 0.00 C ATOM 360 O SER A 26 -8.864 -12.314 -0.190 1.00 0.00 O ATOM 361 CB SER A 26 -9.644 -14.879 0.218 1.00 0.00 C ATOM 362 OG SER A 26 -10.671 -14.035 -0.275 1.00 0.00 O ATOM 0 H SER A 26 -9.117 -14.846 3.290 1.00 0.00 H new ATOM 0 HA SER A 26 -7.887 -14.695 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.978 -15.161 -0.598 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.080 -15.799 0.607 1.00 0.00 H new ATOM 0 HG SER A 26 -10.879 -13.349 0.393 1.00 0.00 H new ATOM 368 N THR A 27 -8.002 -11.974 1.860 1.00 0.00 N ATOM 369 CA THR A 27 -7.689 -10.572 1.615 1.00 0.00 C ATOM 370 C THR A 27 -6.292 -10.224 2.118 1.00 0.00 C ATOM 371 O THR A 27 -5.776 -10.860 3.038 1.00 0.00 O ATOM 372 CB THR A 27 -8.712 -9.641 2.293 1.00 0.00 C ATOM 373 OG1 THR A 27 -10.037 -10.153 2.107 1.00 0.00 O ATOM 374 CG2 THR A 27 -8.623 -8.233 1.724 1.00 0.00 C ATOM 0 H THR A 27 -7.750 -12.306 2.791 1.00 0.00 H new ATOM 0 HA THR A 27 -7.732 -10.423 0.536 1.00 0.00 H new ATOM 0 HB THR A 27 -8.484 -9.600 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.682 -9.557 2.542 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.355 -7.594 2.218 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.622 -7.835 1.892 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.828 -8.259 0.654 1.00 0.00 H new ATOM 382 N LEU A 28 -5.685 -9.211 1.510 1.00 0.00 N ATOM 383 CA LEU A 28 -4.347 -8.778 1.897 1.00 0.00 C ATOM 384 C LEU A 28 -4.414 -7.594 2.857 1.00 0.00 C ATOM 385 O LEU A 28 -5.142 -6.629 2.620 1.00 0.00 O ATOM 386 CB LEU A 28 -3.534 -8.399 0.658 1.00 0.00 C ATOM 387 CG LEU A 28 -2.051 -8.108 0.892 1.00 0.00 C ATOM 388 CD1 LEU A 28 -1.288 -9.398 1.152 1.00 0.00 C ATOM 389 CD2 LEU A 28 -1.459 -7.367 -0.298 1.00 0.00 C ATOM 0 H LEU A 28 -6.098 -8.674 0.747 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.857 -9.608 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.615 -9.209 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.989 -7.519 0.204 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.960 -7.472 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.235 -9.171 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.695 -9.890 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.387 -10.059 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.403 -7.168 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.562 -7.978 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.987 -6.424 -0.438 1.00 0.00 H new ATOM 401 N THR A 29 -3.648 -7.673 3.941 1.00 0.00 N ATOM 402 CA THR A 29 -3.620 -6.608 4.935 1.00 0.00 C ATOM 403 C THR A 29 -2.277 -5.886 4.930 1.00 0.00 C ATOM 404 O THR A 29 -1.247 -6.468 5.271 1.00 0.00 O ATOM 405 CB THR A 29 -3.891 -7.154 6.350 1.00 0.00 C ATOM 406 OG1 THR A 29 -5.061 -7.979 6.341 1.00 0.00 O ATOM 407 CG2 THR A 29 -4.075 -6.016 7.343 1.00 0.00 C ATOM 0 H THR A 29 -3.039 -8.464 4.152 1.00 0.00 H new ATOM 0 HA THR A 29 -4.408 -5.905 4.667 1.00 0.00 H new ATOM 0 HB THR A 29 -3.030 -7.748 6.657 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.225 -8.323 7.244 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.265 -6.426 8.335 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.172 -5.406 7.369 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.920 -5.399 7.037 1.00 0.00 H new ATOM 415 N VAL A 30 -2.295 -4.615 4.542 1.00 0.00 N ATOM 416 CA VAL A 30 -1.079 -3.813 4.494 1.00 0.00 C ATOM 417 C VAL A 30 -1.175 -2.612 5.428 1.00 0.00 C ATOM 418 O VAL A 30 -1.875 -1.641 5.138 1.00 0.00 O ATOM 419 CB VAL A 30 -0.789 -3.317 3.065 1.00 0.00 C ATOM 420 CG1 VAL A 30 0.530 -2.561 3.019 1.00 0.00 C ATOM 421 CG2 VAL A 30 -0.779 -4.483 2.088 1.00 0.00 C ATOM 0 H VAL A 30 -3.139 -4.119 4.256 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.262 -4.458 4.819 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.583 -2.632 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.718 -2.218 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.480 -1.702 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.338 -3.220 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.573 -4.114 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.007 -5.195 2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.751 -4.977 2.101 1.00 0.00 H new ATOM 431 N LYS A 31 -0.469 -2.683 6.550 1.00 0.00 N ATOM 432 CA LYS A 31 -0.472 -1.601 7.528 1.00 0.00 C ATOM 433 C LYS A 31 0.821 -0.796 7.453 1.00 0.00 C ATOM 434 O LYS A 31 1.899 -1.306 7.758 1.00 0.00 O ATOM 435 CB LYS A 31 -0.655 -2.163 8.940 1.00 0.00 C ATOM 436 CG LYS A 31 -0.127 -1.247 10.031 1.00 0.00 C ATOM 437 CD LYS A 31 -0.800 -1.524 11.365 1.00 0.00 C ATOM 438 CE LYS A 31 -2.123 -0.783 11.486 1.00 0.00 C ATOM 439 NZ LYS A 31 -2.920 -1.258 12.651 1.00 0.00 N ATOM 0 H LYS A 31 0.114 -3.480 6.806 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.306 -0.938 7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.715 -2.348 9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.148 -3.125 9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.950 -1.382 10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.293 -0.208 9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.971 -2.595 11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.138 -1.224 12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.933 0.285 11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.700 -0.919 10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.814 -0.729 12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.123 -2.272 12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.380 -1.105 13.527 1.00 0.00 H new ATOM 453 N ILE A 32 0.705 0.464 7.046 1.00 0.00 N ATOM 454 CA ILE A 32 1.865 1.339 6.934 1.00 0.00 C ATOM 455 C ILE A 32 2.177 2.012 8.266 1.00 0.00 C ATOM 456 O ILE A 32 1.579 3.030 8.614 1.00 0.00 O ATOM 457 CB ILE A 32 1.650 2.424 5.862 1.00 0.00 C ATOM 458 CG1 ILE A 32 1.203 1.787 4.544 1.00 0.00 C ATOM 459 CG2 ILE A 32 2.925 3.230 5.661 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.288 0.983 3.863 1.00 0.00 C ATOM 0 H ILE A 32 -0.180 0.901 6.789 1.00 0.00 H new ATOM 0 HA ILE A 32 2.706 0.711 6.641 1.00 0.00 H new ATOM 0 HB ILE A 32 0.866 3.100 6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.347 1.139 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.864 2.571 3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.757 3.993 4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.205 3.709 6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.728 2.567 5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.901 0.561 2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.136 1.631 3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.611 0.177 4.521 1.00 0.00 H new ATOM 472 N MET A 33 3.118 1.437 9.008 1.00 0.00 N ATOM 473 CA MET A 33 3.511 1.984 10.301 1.00 0.00 C ATOM 474 C MET A 33 3.681 3.498 10.223 1.00 0.00 C ATOM 475 O MET A 33 2.826 4.253 10.684 1.00 0.00 O ATOM 476 CB MET A 33 4.813 1.336 10.778 1.00 0.00 C ATOM 477 CG MET A 33 4.691 -0.156 11.036 1.00 0.00 C ATOM 478 SD MET A 33 4.117 -0.527 12.705 1.00 0.00 S ATOM 479 CE MET A 33 4.247 -2.313 12.719 1.00 0.00 C ATOM 0 H MET A 33 3.622 0.593 8.736 1.00 0.00 H new ATOM 0 HA MET A 33 2.719 1.762 11.017 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.588 1.505 10.030 1.00 0.00 H new ATOM 0 HB3 MET A 33 5.140 1.829 11.693 1.00 0.00 H new ATOM 0 HG2 MET A 33 4.000 -0.591 10.313 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.660 -0.629 10.875 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.926 -2.694 13.689 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.612 -2.730 11.937 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.282 -2.604 12.540 1.00 0.00 H new ATOM 489 N LYS A 34 4.791 3.934 9.636 1.00 0.00 N ATOM 490 CA LYS A 34 5.073 5.358 9.496 1.00 0.00 C ATOM 491 C LYS A 34 6.353 5.582 8.697 1.00 0.00 C ATOM 492 O LYS A 34 6.957 4.635 8.195 1.00 0.00 O ATOM 493 CB LYS A 34 5.198 6.012 10.874 1.00 0.00 C ATOM 494 CG LYS A 34 6.413 5.549 11.659 1.00 0.00 C ATOM 495 CD LYS A 34 6.228 4.139 12.193 1.00 0.00 C ATOM 496 CE LYS A 34 7.281 3.795 13.235 1.00 0.00 C ATOM 497 NZ LYS A 34 6.938 4.349 14.574 1.00 0.00 N ATOM 0 H LYS A 34 5.510 3.322 9.250 1.00 0.00 H new ATOM 0 HA LYS A 34 4.244 5.817 8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.246 7.094 10.750 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.299 5.797 11.452 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.295 5.584 11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.593 6.232 12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.235 4.042 12.632 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.283 3.427 11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.382 2.712 13.305 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.248 4.186 12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.680 4.093 15.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.866 5.385 14.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.028 3.957 14.889 1.00 0.00 H new ATOM 511 N ALA A 35 6.762 6.842 8.585 1.00 0.00 N ATOM 512 CA ALA A 35 7.972 7.190 7.850 1.00 0.00 C ATOM 513 C ALA A 35 8.955 7.945 8.738 1.00 0.00 C ATOM 514 O ALA A 35 8.554 8.633 9.677 1.00 0.00 O ATOM 515 CB ALA A 35 7.623 8.018 6.622 1.00 0.00 C ATOM 0 H ALA A 35 6.273 7.638 8.994 1.00 0.00 H new ATOM 0 HA ALA A 35 8.451 6.266 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.536 8.271 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.964 7.443 5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.119 8.934 6.932 1.00 0.00 H new ATOM 521 N GLN A 36 10.242 7.812 8.435 1.00 0.00 N ATOM 522 CA GLN A 36 11.282 8.481 9.207 1.00 0.00 C ATOM 523 C GLN A 36 12.464 8.855 8.319 1.00 0.00 C ATOM 524 O GLN A 36 12.703 8.224 7.291 1.00 0.00 O ATOM 525 CB GLN A 36 11.753 7.584 10.353 1.00 0.00 C ATOM 526 CG GLN A 36 10.616 7.007 11.181 1.00 0.00 C ATOM 527 CD GLN A 36 11.062 6.577 12.564 1.00 0.00 C ATOM 528 OE1 GLN A 36 11.171 7.397 13.477 1.00 0.00 O ATOM 529 NE2 GLN A 36 11.322 5.285 12.728 1.00 0.00 N ATOM 0 H GLN A 36 10.590 7.247 7.660 1.00 0.00 H new ATOM 0 HA GLN A 36 10.859 9.396 9.622 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.345 6.765 9.943 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.412 8.158 11.005 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.825 7.751 11.273 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.189 6.151 10.658 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.218 4.640 11.944 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.625 4.937 13.638 1.00 0.00 H new ATOM 538 N GLU A 37 13.199 9.886 8.725 1.00 0.00 N ATOM 539 CA GLU A 37 14.356 10.344 7.964 1.00 0.00 C ATOM 540 C GLU A 37 13.954 10.731 6.543 1.00 0.00 C ATOM 541 O GLU A 37 14.660 10.424 5.581 1.00 0.00 O ATOM 542 CB GLU A 37 15.431 9.256 7.924 1.00 0.00 C ATOM 543 CG GLU A 37 16.229 9.141 9.212 1.00 0.00 C ATOM 544 CD GLU A 37 17.367 8.145 9.106 1.00 0.00 C ATOM 545 OE1 GLU A 37 18.116 8.203 8.108 1.00 0.00 O ATOM 546 OE2 GLU A 37 17.509 7.307 10.021 1.00 0.00 O ATOM 0 H GLU A 37 13.014 10.419 9.575 1.00 0.00 H new ATOM 0 HA GLU A 37 14.760 11.226 8.461 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.958 8.297 7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.114 9.462 7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.631 10.120 9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.564 8.842 10.022 1.00 0.00 H new ATOM 553 N LEU A 38 12.817 11.406 6.420 1.00 0.00 N ATOM 554 CA LEU A 38 12.320 11.835 5.117 1.00 0.00 C ATOM 555 C LEU A 38 12.842 13.224 4.765 1.00 0.00 C ATOM 556 O LEU A 38 12.757 14.165 5.555 1.00 0.00 O ATOM 557 CB LEU A 38 10.790 11.836 5.108 1.00 0.00 C ATOM 558 CG LEU A 38 10.118 10.468 5.236 1.00 0.00 C ATOM 559 CD1 LEU A 38 8.630 10.575 4.940 1.00 0.00 C ATOM 560 CD2 LEU A 38 10.777 9.460 4.307 1.00 0.00 C ATOM 0 H LEU A 38 12.222 11.668 7.206 1.00 0.00 H new ATOM 0 HA LEU A 38 12.682 11.130 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.442 12.468 5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.452 12.299 4.181 1.00 0.00 H new ATOM 0 HG LEU A 38 10.240 10.120 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.168 9.592 5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.167 11.264 5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.487 10.946 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.285 8.493 4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.687 9.803 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.831 9.361 4.566 1.00 0.00 H new ATOM 572 N PRO A 39 13.395 13.359 3.551 1.00 0.00 N ATOM 573 CA PRO A 39 13.940 14.630 3.066 1.00 0.00 C ATOM 574 C PRO A 39 12.850 15.661 2.791 1.00 0.00 C ATOM 575 O PRO A 39 11.686 15.311 2.600 1.00 0.00 O ATOM 576 CB PRO A 39 14.646 14.240 1.765 1.00 0.00 C ATOM 577 CG PRO A 39 13.946 13.007 1.308 1.00 0.00 C ATOM 578 CD PRO A 39 13.531 12.280 2.558 1.00 0.00 C ATOM 0 HA PRO A 39 14.596 15.098 3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.574 15.034 1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.707 14.054 1.931 1.00 0.00 H new ATOM 0 HG2 PRO A 39 13.080 13.255 0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.603 12.389 0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.593 11.743 2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.277 11.546 2.862 1.00 0.00 H new ATOM 586 N ALA A 40 13.235 16.933 2.773 1.00 0.00 N ATOM 587 CA ALA A 40 12.291 18.014 2.520 1.00 0.00 C ATOM 588 C ALA A 40 12.483 18.594 1.123 1.00 0.00 C ATOM 589 O ALA A 40 13.547 19.123 0.800 1.00 0.00 O ATOM 590 CB ALA A 40 12.441 19.103 3.572 1.00 0.00 C ATOM 0 H ALA A 40 14.195 17.240 2.931 1.00 0.00 H new ATOM 0 HA ALA A 40 11.283 17.604 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.730 19.904 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.246 18.684 4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.455 19.502 3.541 1.00 0.00 H new ATOM 668 N THR A 46 9.848 21.688 4.898 1.00 0.00 N ATOM 669 CA THR A 46 8.572 21.014 5.102 1.00 0.00 C ATOM 670 C THR A 46 8.043 20.431 3.797 1.00 0.00 C ATOM 671 O THR A 46 8.311 20.957 2.717 1.00 0.00 O ATOM 672 CB THR A 46 7.518 21.973 5.687 1.00 0.00 C ATOM 673 OG1 THR A 46 7.766 23.309 5.235 1.00 0.00 O ATOM 674 CG2 THR A 46 7.537 21.935 7.208 1.00 0.00 C ATOM 0 HA THR A 46 8.751 20.206 5.811 1.00 0.00 H new ATOM 0 HB THR A 46 6.535 21.651 5.343 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.726 23.428 5.076 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.784 22.620 7.599 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.319 20.923 7.549 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.522 22.235 7.567 1.00 0.00 H new ATOM 682 N SER A 47 7.290 19.341 3.903 1.00 0.00 N ATOM 683 CA SER A 47 6.726 18.684 2.730 1.00 0.00 C ATOM 684 C SER A 47 5.539 17.807 3.117 1.00 0.00 C ATOM 685 O SER A 47 5.337 17.500 4.292 1.00 0.00 O ATOM 686 CB SER A 47 7.792 17.839 2.030 1.00 0.00 C ATOM 687 OG SER A 47 8.501 18.604 1.071 1.00 0.00 O ATOM 0 H SER A 47 7.056 18.894 4.790 1.00 0.00 H new ATOM 0 HA SER A 47 6.377 19.456 2.044 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.488 17.441 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.321 16.985 1.543 1.00 0.00 H new ATOM 0 HG SER A 47 8.606 19.522 1.398 1.00 0.00 H new ATOM 693 N ASP A 48 4.757 17.408 2.120 1.00 0.00 N ATOM 694 CA ASP A 48 3.590 16.565 2.354 1.00 0.00 C ATOM 695 C ASP A 48 3.812 15.162 1.798 1.00 0.00 C ATOM 696 O ASP A 48 3.347 14.818 0.711 1.00 0.00 O ATOM 697 CB ASP A 48 2.347 17.189 1.717 1.00 0.00 C ATOM 698 CG ASP A 48 2.378 18.705 1.752 1.00 0.00 C ATOM 699 OD1 ASP A 48 2.762 19.267 2.799 1.00 0.00 O ATOM 700 OD2 ASP A 48 2.018 19.329 0.732 1.00 0.00 O ATOM 0 H ASP A 48 4.910 17.655 1.142 1.00 0.00 H new ATOM 0 HA ASP A 48 3.438 16.489 3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.265 16.854 0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.458 16.834 2.239 1.00 0.00 H new ATOM 705 N PRO A 49 4.540 14.332 2.559 1.00 0.00 N ATOM 706 CA PRO A 49 4.841 12.954 2.162 1.00 0.00 C ATOM 707 C PRO A 49 3.607 12.058 2.195 1.00 0.00 C ATOM 708 O PRO A 49 2.774 12.164 3.095 1.00 0.00 O ATOM 709 CB PRO A 49 5.860 12.497 3.210 1.00 0.00 C ATOM 710 CG PRO A 49 5.584 13.347 4.402 1.00 0.00 C ATOM 711 CD PRO A 49 5.125 14.675 3.866 1.00 0.00 C ATOM 0 HA PRO A 49 5.207 12.897 1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.741 11.439 3.442 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.881 12.633 2.855 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.819 12.896 5.034 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.478 13.461 5.015 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.392 15.142 4.524 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.954 15.375 3.764 1.00 0.00 H new ATOM 719 N PHE A 50 3.495 11.177 1.207 1.00 0.00 N ATOM 720 CA PHE A 50 2.362 10.263 1.122 1.00 0.00 C ATOM 721 C PHE A 50 2.787 8.924 0.527 1.00 0.00 C ATOM 722 O PHE A 50 3.587 8.872 -0.407 1.00 0.00 O ATOM 723 CB PHE A 50 1.246 10.879 0.276 1.00 0.00 C ATOM 724 CG PHE A 50 1.477 10.755 -1.203 1.00 0.00 C ATOM 725 CD1 PHE A 50 1.070 9.623 -1.890 1.00 0.00 C ATOM 726 CD2 PHE A 50 2.102 11.772 -1.907 1.00 0.00 C ATOM 727 CE1 PHE A 50 1.281 9.506 -3.251 1.00 0.00 C ATOM 728 CE2 PHE A 50 2.315 11.661 -3.268 1.00 0.00 C ATOM 729 CZ PHE A 50 1.905 10.527 -3.941 1.00 0.00 C ATOM 0 H PHE A 50 4.175 11.076 0.454 1.00 0.00 H new ATOM 0 HA PHE A 50 1.990 10.090 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.301 10.398 0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.146 11.934 0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.582 8.822 -1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.426 12.661 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.959 8.618 -3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.802 12.461 -3.805 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.072 10.439 -5.004 1.00 0.00 H new ATOM 739 N VAL A 51 2.245 7.841 1.075 1.00 0.00 N ATOM 740 CA VAL A 51 2.566 6.500 0.600 1.00 0.00 C ATOM 741 C VAL A 51 1.652 6.091 -0.549 1.00 0.00 C ATOM 742 O VAL A 51 0.444 6.328 -0.512 1.00 0.00 O ATOM 743 CB VAL A 51 2.448 5.461 1.730 1.00 0.00 C ATOM 744 CG1 VAL A 51 2.998 4.116 1.278 1.00 0.00 C ATOM 745 CG2 VAL A 51 3.168 5.948 2.979 1.00 0.00 C ATOM 0 H VAL A 51 1.581 7.866 1.849 1.00 0.00 H new ATOM 0 HA VAL A 51 3.597 6.527 0.248 1.00 0.00 H new ATOM 0 HB VAL A 51 1.393 5.332 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.906 3.394 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.434 3.764 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.048 4.225 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.074 5.201 3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.222 6.106 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.724 6.886 3.313 1.00 0.00 H new ATOM 755 N LYS A 52 2.235 5.475 -1.572 1.00 0.00 N ATOM 756 CA LYS A 52 1.474 5.030 -2.733 1.00 0.00 C ATOM 757 C LYS A 52 1.638 3.529 -2.948 1.00 0.00 C ATOM 758 O LYS A 52 2.724 3.056 -3.286 1.00 0.00 O ATOM 759 CB LYS A 52 1.924 5.788 -3.984 1.00 0.00 C ATOM 760 CG LYS A 52 1.041 5.540 -5.195 1.00 0.00 C ATOM 761 CD LYS A 52 0.997 6.753 -6.109 1.00 0.00 C ATOM 762 CE LYS A 52 2.393 7.182 -6.535 1.00 0.00 C ATOM 763 NZ LYS A 52 2.371 7.960 -7.804 1.00 0.00 N ATOM 0 H LYS A 52 3.234 5.273 -1.620 1.00 0.00 H new ATOM 0 HA LYS A 52 0.420 5.239 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.937 6.856 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.947 5.499 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.415 4.679 -5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.031 5.294 -4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.401 6.523 -6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.502 7.578 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.844 7.785 -5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.021 6.300 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.341 8.234 -8.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.964 7.376 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.792 8.815 -7.677 1.00 0.00 H new ATOM 777 N ILE A 53 0.555 2.785 -2.752 1.00 0.00 N ATOM 778 CA ILE A 53 0.579 1.339 -2.928 1.00 0.00 C ATOM 779 C ILE A 53 0.256 0.954 -4.368 1.00 0.00 C ATOM 780 O ILE A 53 -0.557 1.603 -5.027 1.00 0.00 O ATOM 781 CB ILE A 53 -0.419 0.640 -1.986 1.00 0.00 C ATOM 782 CG1 ILE A 53 -0.164 1.058 -0.536 1.00 0.00 C ATOM 783 CG2 ILE A 53 -0.318 -0.871 -2.133 1.00 0.00 C ATOM 784 CD1 ILE A 53 -1.395 0.987 0.339 1.00 0.00 C ATOM 0 H ILE A 53 -0.351 3.160 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 53 1.589 1.009 -2.684 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.429 0.945 -2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.610 0.418 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.223 2.077 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.030 -1.350 -1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.544 -1.152 -3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.692 -1.194 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.140 1.297 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.164 1.649 -0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.770 -0.036 0.357 1.00 0.00 H new ATOM 796 N TYR A 54 0.896 -0.105 -4.849 1.00 0.00 N ATOM 797 CA TYR A 54 0.678 -0.577 -6.212 1.00 0.00 C ATOM 798 C TYR A 54 0.974 -2.069 -6.326 1.00 0.00 C ATOM 799 O TYR A 54 2.094 -2.513 -6.070 1.00 0.00 O ATOM 800 CB TYR A 54 1.555 0.205 -7.191 1.00 0.00 C ATOM 801 CG TYR A 54 0.858 1.397 -7.809 1.00 0.00 C ATOM 802 CD1 TYR A 54 0.691 2.577 -7.096 1.00 0.00 C ATOM 803 CD2 TYR A 54 0.367 1.342 -9.108 1.00 0.00 C ATOM 804 CE1 TYR A 54 0.055 3.667 -7.656 1.00 0.00 C ATOM 805 CE2 TYR A 54 -0.269 2.428 -9.678 1.00 0.00 C ATOM 806 CZ TYR A 54 -0.424 3.588 -8.948 1.00 0.00 C ATOM 807 OH TYR A 54 -1.057 4.672 -9.510 1.00 0.00 O ATOM 0 H TYR A 54 1.570 -0.654 -4.316 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.370 -0.413 -6.463 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.450 0.547 -6.671 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.885 -0.465 -7.985 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.065 2.643 -6.085 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.485 0.435 -9.682 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.067 4.576 -7.086 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.643 2.369 -10.690 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.332 4.452 -10.424 1.00 0.00 H new ATOM 817 N LEU A 55 -0.037 -2.838 -6.714 1.00 0.00 N ATOM 818 CA LEU A 55 0.113 -4.281 -6.864 1.00 0.00 C ATOM 819 C LEU A 55 0.570 -4.637 -8.275 1.00 0.00 C ATOM 820 O LEU A 55 -0.250 -4.887 -9.160 1.00 0.00 O ATOM 821 CB LEU A 55 -1.207 -4.987 -6.549 1.00 0.00 C ATOM 822 CG LEU A 55 -1.476 -5.281 -5.073 1.00 0.00 C ATOM 823 CD1 LEU A 55 -2.686 -6.190 -4.922 1.00 0.00 C ATOM 824 CD2 LEU A 55 -0.251 -5.907 -4.422 1.00 0.00 C ATOM 0 H LEU A 55 -0.970 -2.486 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 55 0.874 -4.617 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.024 -4.375 -6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.232 -5.929 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.690 -4.339 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.862 -6.388 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.562 -5.704 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.502 -7.130 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.461 -6.109 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.006 -6.840 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.592 -5.220 -4.498 1.00 0.00 H new ATOM 836 N LEU A 56 1.882 -4.661 -8.478 1.00 0.00 N ATOM 837 CA LEU A 56 2.449 -4.990 -9.782 1.00 0.00 C ATOM 838 C LEU A 56 2.361 -6.488 -10.052 1.00 0.00 C ATOM 839 O LEU A 56 2.364 -7.310 -9.135 1.00 0.00 O ATOM 840 CB LEU A 56 3.906 -4.531 -9.856 1.00 0.00 C ATOM 841 CG LEU A 56 4.219 -3.180 -9.212 1.00 0.00 C ATOM 842 CD1 LEU A 56 5.651 -3.151 -8.701 1.00 0.00 C ATOM 843 CD2 LEU A 56 3.980 -2.049 -10.202 1.00 0.00 C ATOM 0 H LEU A 56 2.574 -4.457 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 56 1.871 -4.468 -10.545 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.529 -5.290 -9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.199 -4.487 -10.905 1.00 0.00 H new ATOM 0 HG LEU A 56 3.550 -3.040 -8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.855 -2.182 -8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.788 -3.937 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.337 -3.314 -9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.208 -1.095 -9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.624 -2.184 -11.071 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.937 -2.057 -10.518 1.00 0.00 H new ATOM 855 N PRO A 57 2.283 -6.854 -11.340 1.00 0.00 N ATOM 856 CA PRO A 57 2.278 -5.884 -12.439 1.00 0.00 C ATOM 857 C PRO A 57 0.989 -5.072 -12.490 1.00 0.00 C ATOM 858 O PRO A 57 0.992 -3.908 -12.892 1.00 0.00 O ATOM 859 CB PRO A 57 2.407 -6.762 -13.687 1.00 0.00 C ATOM 860 CG PRO A 57 1.855 -8.084 -13.279 1.00 0.00 C ATOM 861 CD PRO A 57 2.193 -8.242 -11.822 1.00 0.00 C ATOM 0 HA PRO A 57 3.074 -5.146 -12.335 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.851 -6.342 -14.525 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.446 -6.848 -14.005 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.777 -8.122 -13.436 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.292 -8.889 -13.870 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.425 -8.803 -11.290 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.132 -8.777 -11.683 1.00 0.00 H new ATOM 869 N ASP A 58 -0.112 -5.692 -12.080 1.00 0.00 N ATOM 870 CA ASP A 58 -1.409 -5.026 -12.078 1.00 0.00 C ATOM 871 C ASP A 58 -1.255 -3.538 -11.782 1.00 0.00 C ATOM 872 O ASP A 58 -0.828 -3.151 -10.694 1.00 0.00 O ATOM 873 CB ASP A 58 -2.336 -5.671 -11.045 1.00 0.00 C ATOM 874 CG ASP A 58 -3.168 -6.792 -11.635 1.00 0.00 C ATOM 875 OD1 ASP A 58 -3.371 -6.797 -12.867 1.00 0.00 O ATOM 876 OD2 ASP A 58 -3.616 -7.666 -10.864 1.00 0.00 O ATOM 0 H ASP A 58 -0.132 -6.655 -11.745 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.849 -5.137 -13.069 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.740 -6.060 -10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.998 -4.911 -10.630 1.00 0.00 H new ATOM 881 N LYS A 59 -1.604 -2.706 -12.758 1.00 0.00 N ATOM 882 CA LYS A 59 -1.505 -1.260 -12.603 1.00 0.00 C ATOM 883 C LYS A 59 -2.885 -0.611 -12.654 1.00 0.00 C ATOM 884 O LYS A 59 -3.048 0.486 -13.187 1.00 0.00 O ATOM 885 CB LYS A 59 -0.612 -0.669 -13.697 1.00 0.00 C ATOM 886 CG LYS A 59 0.849 -0.562 -13.297 1.00 0.00 C ATOM 887 CD LYS A 59 1.156 0.783 -12.661 1.00 0.00 C ATOM 888 CE LYS A 59 2.620 1.159 -12.832 1.00 0.00 C ATOM 889 NZ LYS A 59 3.452 0.682 -11.693 1.00 0.00 N ATOM 0 H LYS A 59 -1.958 -3.009 -13.665 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.061 -1.054 -11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.691 -1.287 -14.592 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.982 0.322 -13.960 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.095 -1.361 -12.597 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.479 -0.702 -14.175 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.527 1.551 -13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.909 0.750 -11.600 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.998 0.733 -13.761 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.709 2.242 -12.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.009 1.474 -11.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.834 0.305 -10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.094 -0.067 -12.022 1.00 0.00 H new ATOM 903 N LYS A 60 -3.876 -1.297 -12.094 1.00 0.00 N ATOM 904 CA LYS A 60 -5.242 -0.787 -12.073 1.00 0.00 C ATOM 905 C LYS A 60 -5.743 -0.634 -10.640 1.00 0.00 C ATOM 906 O LYS A 60 -6.144 0.454 -10.225 1.00 0.00 O ATOM 907 CB LYS A 60 -6.170 -1.723 -12.852 1.00 0.00 C ATOM 908 CG LYS A 60 -7.628 -1.298 -12.820 1.00 0.00 C ATOM 909 CD LYS A 60 -7.934 -0.275 -13.901 1.00 0.00 C ATOM 910 CE LYS A 60 -9.403 0.120 -13.894 1.00 0.00 C ATOM 911 NZ LYS A 60 -9.679 1.216 -12.924 1.00 0.00 N ATOM 0 H LYS A 60 -3.759 -2.207 -11.649 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.245 0.194 -12.547 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.837 -1.771 -13.889 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.084 -2.730 -12.442 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.266 -2.172 -12.954 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.864 -0.878 -11.842 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.317 0.611 -13.750 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.671 -0.685 -14.876 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.698 0.437 -14.894 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.011 -0.749 -13.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.691 1.456 -12.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.421 0.905 -11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.118 2.054 -13.178 1.00 0.00 H new ATOM 925 N HIS A 61 -5.717 -1.731 -9.889 1.00 0.00 N ATOM 926 CA HIS A 61 -6.167 -1.717 -8.501 1.00 0.00 C ATOM 927 C HIS A 61 -5.042 -1.278 -7.570 1.00 0.00 C ATOM 928 O HIS A 61 -4.277 -2.104 -7.070 1.00 0.00 O ATOM 929 CB HIS A 61 -6.672 -3.102 -8.094 1.00 0.00 C ATOM 930 CG HIS A 61 -8.047 -3.411 -8.600 1.00 0.00 C ATOM 931 ND1 HIS A 61 -8.352 -4.563 -9.294 1.00 0.00 N ATOM 932 CD2 HIS A 61 -9.202 -2.712 -8.509 1.00 0.00 C ATOM 933 CE1 HIS A 61 -9.634 -4.558 -9.609 1.00 0.00 C ATOM 934 NE2 HIS A 61 -10.174 -3.446 -9.144 1.00 0.00 N ATOM 0 H HIS A 61 -5.390 -2.639 -10.218 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.984 -1.001 -8.416 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.979 -3.856 -8.466 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.669 -3.176 -7.006 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -9.335 -1.755 -8.027 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -10.153 -5.332 -10.155 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -11.153 -3.176 -9.241 1.00 0.00 H new ATOM 943 N LYS A 62 -4.946 0.027 -7.340 1.00 0.00 N ATOM 944 CA LYS A 62 -3.915 0.577 -6.468 1.00 0.00 C ATOM 945 C LYS A 62 -4.527 1.486 -5.407 1.00 0.00 C ATOM 946 O LYS A 62 -5.597 2.062 -5.611 1.00 0.00 O ATOM 947 CB LYS A 62 -2.885 1.356 -7.290 1.00 0.00 C ATOM 948 CG LYS A 62 -3.389 2.704 -7.776 1.00 0.00 C ATOM 949 CD LYS A 62 -4.061 2.591 -9.134 1.00 0.00 C ATOM 950 CE LYS A 62 -4.900 3.821 -9.445 1.00 0.00 C ATOM 951 NZ LYS A 62 -5.987 3.520 -10.418 1.00 0.00 N ATOM 0 H LYS A 62 -5.570 0.724 -7.746 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.418 -0.253 -5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.990 1.508 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.590 0.756 -8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.095 3.112 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.556 3.404 -7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.303 2.462 -9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.693 1.703 -9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.335 4.207 -8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.259 4.605 -9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.862 3.995 -10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.713 3.862 -11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.145 2.493 -10.455 1.00 0.00 H new ATOM 965 N LEU A 63 -3.842 1.612 -4.276 1.00 0.00 N ATOM 966 CA LEU A 63 -4.319 2.453 -3.183 1.00 0.00 C ATOM 967 C LEU A 63 -3.182 3.291 -2.606 1.00 0.00 C ATOM 968 O LEU A 63 -2.013 3.063 -2.913 1.00 0.00 O ATOM 969 CB LEU A 63 -4.941 1.591 -2.084 1.00 0.00 C ATOM 970 CG LEU A 63 -6.437 1.304 -2.222 1.00 0.00 C ATOM 971 CD1 LEU A 63 -6.673 0.150 -3.184 1.00 0.00 C ATOM 972 CD2 LEU A 63 -7.050 1.002 -0.862 1.00 0.00 C ATOM 0 H LEU A 63 -2.955 1.143 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.078 3.127 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.410 0.639 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.773 2.082 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.922 2.192 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.743 -0.040 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.270 0.405 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.175 -0.744 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.115 0.800 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.561 0.130 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.914 1.859 -0.203 1.00 0.00 H new ATOM 984 N GLU A 64 -3.535 4.259 -1.765 1.00 0.00 N ATOM 985 CA GLU A 64 -2.544 5.129 -1.144 1.00 0.00 C ATOM 986 C GLU A 64 -2.978 5.531 0.263 1.00 0.00 C ATOM 987 O GLU A 64 -4.105 5.259 0.679 1.00 0.00 O ATOM 988 CB GLU A 64 -2.323 6.379 -1.998 1.00 0.00 C ATOM 989 CG GLU A 64 -1.910 6.075 -3.428 1.00 0.00 C ATOM 990 CD GLU A 64 -3.097 5.939 -4.362 1.00 0.00 C ATOM 991 OE1 GLU A 64 -4.094 6.664 -4.163 1.00 0.00 O ATOM 992 OE2 GLU A 64 -3.029 5.108 -5.292 1.00 0.00 O ATOM 0 H GLU A 64 -4.499 4.460 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.607 4.576 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.241 6.966 -2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.556 6.997 -1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.257 6.869 -3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.330 5.152 -3.446 1.00 0.00 H new ATOM 999 N THR A 65 -2.075 6.179 0.992 1.00 0.00 N ATOM 1000 CA THR A 65 -2.362 6.617 2.352 1.00 0.00 C ATOM 1001 C THR A 65 -2.745 8.092 2.385 1.00 0.00 C ATOM 1002 O THR A 65 -2.716 8.775 1.362 1.00 0.00 O ATOM 1003 CB THR A 65 -1.156 6.390 3.282 1.00 0.00 C ATOM 1004 OG1 THR A 65 0.025 6.955 2.700 1.00 0.00 O ATOM 1005 CG2 THR A 65 -0.941 4.906 3.538 1.00 0.00 C ATOM 0 H THR A 65 -1.138 6.412 0.663 1.00 0.00 H new ATOM 0 HA THR A 65 -3.201 6.019 2.706 1.00 0.00 H new ATOM 0 HB THR A 65 -1.362 6.880 4.233 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.542 7.417 3.393 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.084 4.771 4.197 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.830 4.485 4.008 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.755 4.397 2.592 1.00 0.00 H new ATOM 1013 N LYS A 66 -3.104 8.579 3.569 1.00 0.00 N ATOM 1014 CA LYS A 66 -3.491 9.974 3.737 1.00 0.00 C ATOM 1015 C LYS A 66 -2.324 10.904 3.420 1.00 0.00 C ATOM 1016 O LYS A 66 -1.197 10.455 3.211 1.00 0.00 O ATOM 1017 CB LYS A 66 -3.979 10.221 5.166 1.00 0.00 C ATOM 1018 CG LYS A 66 -5.340 9.613 5.457 1.00 0.00 C ATOM 1019 CD LYS A 66 -6.467 10.523 4.999 1.00 0.00 C ATOM 1020 CE LYS A 66 -6.792 10.311 3.528 1.00 0.00 C ATOM 1021 NZ LYS A 66 -8.225 10.586 3.232 1.00 0.00 N ATOM 0 H LYS A 66 -3.135 8.027 4.426 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.302 10.186 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.250 9.812 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.024 11.295 5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.423 8.649 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.434 9.425 6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.356 10.333 5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.186 11.563 5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.164 10.962 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.553 9.285 3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.406 10.430 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.824 9.948 3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.447 11.572 3.476 1.00 0.00 H new ATOM 1035 N VAL A 67 -2.601 12.204 3.386 1.00 0.00 N ATOM 1036 CA VAL A 67 -1.574 13.198 3.097 1.00 0.00 C ATOM 1037 C VAL A 67 -1.395 14.159 4.267 1.00 0.00 C ATOM 1038 O VAL A 67 -2.303 14.918 4.606 1.00 0.00 O ATOM 1039 CB VAL A 67 -1.915 14.005 1.831 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -0.838 15.043 1.553 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -2.093 13.077 0.639 1.00 0.00 C ATOM 0 H VAL A 67 -3.529 12.593 3.555 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.644 12.654 2.932 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.856 14.529 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.096 15.604 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.765 15.727 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.120 14.543 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.334 13.665 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.170 12.524 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.904 12.377 0.841 1.00 0.00 H new ATOM 1051 N LYS A 68 -0.217 14.122 4.881 1.00 0.00 N ATOM 1052 CA LYS A 68 0.084 14.991 6.013 1.00 0.00 C ATOM 1053 C LYS A 68 0.973 16.154 5.584 1.00 0.00 C ATOM 1054 O LYS A 68 2.060 15.950 5.045 1.00 0.00 O ATOM 1055 CB LYS A 68 0.769 14.194 7.125 1.00 0.00 C ATOM 1056 CG LYS A 68 0.014 12.939 7.528 1.00 0.00 C ATOM 1057 CD LYS A 68 -1.065 13.242 8.553 1.00 0.00 C ATOM 1058 CE LYS A 68 -1.657 11.966 9.133 1.00 0.00 C ATOM 1059 NZ LYS A 68 -2.187 12.176 10.509 1.00 0.00 N ATOM 0 H LYS A 68 0.545 13.499 4.614 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.856 15.395 6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.771 13.916 6.797 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.886 14.834 8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.438 12.486 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.712 12.209 7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.645 13.848 9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.855 13.832 8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.458 11.610 8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.894 11.188 9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.582 11.284 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.417 12.491 11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.933 12.900 10.487 1.00 0.00 H new ATOM 1073 N ARG A 69 0.503 17.373 5.829 1.00 0.00 N ATOM 1074 CA ARG A 69 1.256 18.568 5.468 1.00 0.00 C ATOM 1075 C ARG A 69 2.175 18.997 6.609 1.00 0.00 C ATOM 1076 O ARG A 69 1.878 18.763 7.781 1.00 0.00 O ATOM 1077 CB ARG A 69 0.303 19.710 5.111 1.00 0.00 C ATOM 1078 CG ARG A 69 -0.875 19.274 4.254 1.00 0.00 C ATOM 1079 CD ARG A 69 -0.486 19.166 2.788 1.00 0.00 C ATOM 1080 NE ARG A 69 -1.638 19.322 1.904 1.00 0.00 N ATOM 1081 CZ ARG A 69 -2.345 20.443 1.809 1.00 0.00 C ATOM 1082 NH1 ARG A 69 -2.019 21.500 2.540 1.00 0.00 N ATOM 1083 NH2 ARG A 69 -3.380 20.508 0.981 1.00 0.00 N ATOM 0 H ARG A 69 -0.395 17.559 6.276 1.00 0.00 H new ATOM 0 HA ARG A 69 1.869 18.331 4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.074 20.159 6.030 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.859 20.484 4.583 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.246 18.311 4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.691 19.989 4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.257 19.928 2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.019 18.198 2.607 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.915 18.527 1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.224 21.454 3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.563 22.359 2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.633 19.697 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.922 21.369 0.909 1.00 0.00 H new ATOM 1097 N LYS A 70 3.292 19.626 6.258 1.00 0.00 N ATOM 1098 CA LYS A 70 4.254 20.088 7.251 1.00 0.00 C ATOM 1099 C LYS A 70 4.683 18.946 8.167 1.00 0.00 C ATOM 1100 O LYS A 70 4.862 19.136 9.369 1.00 0.00 O ATOM 1101 CB LYS A 70 3.654 21.224 8.083 1.00 0.00 C ATOM 1102 CG LYS A 70 3.256 22.436 7.258 1.00 0.00 C ATOM 1103 CD LYS A 70 3.041 23.660 8.134 1.00 0.00 C ATOM 1104 CE LYS A 70 3.364 24.944 7.385 1.00 0.00 C ATOM 1105 NZ LYS A 70 2.180 25.470 6.650 1.00 0.00 N ATOM 0 H LYS A 70 3.553 19.827 5.293 1.00 0.00 H new ATOM 0 HA LYS A 70 5.133 20.457 6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.777 20.851 8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.377 21.531 8.839 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.031 22.646 6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.342 22.217 6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.006 23.687 8.476 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.668 23.588 9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.718 25.696 8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.176 24.760 6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.441 26.345 6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.858 24.762 5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.414 25.670 7.324 1.00 0.00 H new ATOM 1119 N ASN A 71 4.847 17.760 7.589 1.00 0.00 N ATOM 1120 CA ASN A 71 5.256 16.588 8.353 1.00 0.00 C ATOM 1121 C ASN A 71 6.155 15.680 7.519 1.00 0.00 C ATOM 1122 O ASN A 71 5.736 15.152 6.487 1.00 0.00 O ATOM 1123 CB ASN A 71 4.028 15.810 8.829 1.00 0.00 C ATOM 1124 CG ASN A 71 3.537 16.277 10.186 1.00 0.00 C ATOM 1125 OD1 ASN A 71 2.850 17.293 10.294 1.00 0.00 O ATOM 1126 ND2 ASN A 71 3.890 15.536 11.230 1.00 0.00 N ATOM 0 H ASN A 71 4.703 17.586 6.594 1.00 0.00 H new ATOM 0 HA ASN A 71 5.820 16.930 9.220 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.226 15.919 8.098 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.271 14.749 8.879 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.591 15.801 12.168 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.461 14.702 11.094 1.00 0.00 H new ATOM 1133 N LEU A 72 7.391 15.503 7.971 1.00 0.00 N ATOM 1134 CA LEU A 72 8.350 14.659 7.267 1.00 0.00 C ATOM 1135 C LEU A 72 8.347 13.243 7.834 1.00 0.00 C ATOM 1136 O LEU A 72 8.550 12.272 7.106 1.00 0.00 O ATOM 1137 CB LEU A 72 9.754 15.257 7.365 1.00 0.00 C ATOM 1138 CG LEU A 72 9.909 16.692 6.860 1.00 0.00 C ATOM 1139 CD1 LEU A 72 11.336 17.178 7.061 1.00 0.00 C ATOM 1140 CD2 LEU A 72 9.513 16.787 5.394 1.00 0.00 C ATOM 0 H LEU A 72 7.753 15.933 8.822 1.00 0.00 H new ATOM 0 HA LEU A 72 8.055 14.612 6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.069 15.224 8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.438 14.620 6.805 1.00 0.00 H new ATOM 0 HG LEU A 72 9.244 17.334 7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.427 18.201 6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.585 17.148 8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.021 16.534 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.630 17.815 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.152 16.132 4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.473 16.481 5.277 1.00 0.00 H new ATOM 1152 N ASN A 73 8.114 13.133 9.138 1.00 0.00 N ATOM 1153 CA ASN A 73 8.084 11.835 9.802 1.00 0.00 C ATOM 1154 C ASN A 73 6.705 11.560 10.396 1.00 0.00 C ATOM 1155 O ASN A 73 6.566 11.204 11.566 1.00 0.00 O ATOM 1156 CB ASN A 73 9.146 11.776 10.902 1.00 0.00 C ATOM 1157 CG ASN A 73 10.495 12.282 10.429 1.00 0.00 C ATOM 1158 OD1 ASN A 73 10.912 12.013 9.302 1.00 0.00 O ATOM 1159 ND2 ASN A 73 11.186 13.018 11.292 1.00 0.00 N ATOM 0 H ASN A 73 7.943 13.927 9.755 1.00 0.00 H new ATOM 0 HA ASN A 73 8.299 11.069 9.057 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.816 12.370 11.754 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.248 10.748 11.250 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.101 13.385 11.031 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.802 13.216 12.216 1.00 0.00 H new ATOM 1166 N PRO A 74 5.661 11.728 9.570 1.00 0.00 N ATOM 1167 CA PRO A 74 4.275 11.503 9.991 1.00 0.00 C ATOM 1168 C PRO A 74 3.975 10.027 10.229 1.00 0.00 C ATOM 1169 O PRO A 74 4.751 9.154 9.840 1.00 0.00 O ATOM 1170 CB PRO A 74 3.456 12.032 8.811 1.00 0.00 C ATOM 1171 CG PRO A 74 4.365 11.916 7.637 1.00 0.00 C ATOM 1172 CD PRO A 74 5.754 12.151 8.163 1.00 0.00 C ATOM 0 HA PRO A 74 4.051 11.995 10.937 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.547 11.448 8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.149 13.065 8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.284 10.931 7.176 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.109 12.648 6.871 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.495 11.568 7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.045 13.198 8.076 1.00 0.00 H new ATOM 1180 N HIS A 75 2.842 9.754 10.870 1.00 0.00 N ATOM 1181 CA HIS A 75 2.439 8.383 11.159 1.00 0.00 C ATOM 1182 C HIS A 75 1.065 8.085 10.566 1.00 0.00 C ATOM 1183 O HIS A 75 0.070 8.710 10.935 1.00 0.00 O ATOM 1184 CB HIS A 75 2.419 8.142 12.668 1.00 0.00 C ATOM 1185 CG HIS A 75 1.307 8.854 13.374 1.00 0.00 C ATOM 1186 ND1 HIS A 75 0.087 8.268 13.641 1.00 0.00 N ATOM 1187 CD2 HIS A 75 1.235 10.111 13.870 1.00 0.00 C ATOM 1188 CE1 HIS A 75 -0.687 9.134 14.270 1.00 0.00 C ATOM 1189 NE2 HIS A 75 -0.014 10.261 14.422 1.00 0.00 N ATOM 0 H HIS A 75 2.188 10.464 11.199 1.00 0.00 H new ATOM 0 HA HIS A 75 3.166 7.712 10.702 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.331 7.072 12.855 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.371 8.462 13.091 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -0.176 7.315 13.392 1.00 0.00 H new ATOM 0 HD2 HIS A 75 2.015 10.858 13.838 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.698 8.952 14.603 1.00 0.00 H new ATOM 1198 N TRP A 76 1.018 7.128 9.646 1.00 0.00 N ATOM 1199 CA TRP A 76 -0.234 6.748 9.002 1.00 0.00 C ATOM 1200 C TRP A 76 -0.935 5.642 9.783 1.00 0.00 C ATOM 1201 O TRP A 76 -2.106 5.766 10.136 1.00 0.00 O ATOM 1202 CB TRP A 76 0.025 6.290 7.566 1.00 0.00 C ATOM 1203 CG TRP A 76 0.551 7.379 6.680 1.00 0.00 C ATOM 1204 CD1 TRP A 76 -0.154 8.431 6.169 1.00 0.00 C ATOM 1205 CD2 TRP A 76 1.893 7.521 6.201 1.00 0.00 C ATOM 1206 NE1 TRP A 76 0.669 9.219 5.401 1.00 0.00 N ATOM 1207 CE2 TRP A 76 1.930 8.683 5.405 1.00 0.00 C ATOM 1208 CE3 TRP A 76 3.067 6.782 6.369 1.00 0.00 C ATOM 1209 CZ2 TRP A 76 3.094 9.119 4.779 1.00 0.00 C ATOM 1210 CZ3 TRP A 76 4.222 7.216 5.746 1.00 0.00 C ATOM 1211 CH2 TRP A 76 4.229 8.376 4.960 1.00 0.00 C ATOM 0 H TRP A 76 1.832 6.601 9.329 1.00 0.00 H new ATOM 0 HA TRP A 76 -0.884 7.623 8.985 1.00 0.00 H new ATOM 0 HB2 TRP A 76 0.738 5.466 7.578 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -0.902 5.903 7.143 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -1.204 8.616 6.343 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.387 10.066 4.908 1.00 0.00 H new ATOM 0 HE3 TRP A 76 3.072 5.888 6.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 3.101 10.012 4.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 5.135 6.651 5.867 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.148 8.690 4.488 1.00 0.00 H new ATOM 1222 N ASN A 77 -0.209 4.561 10.049 1.00 0.00 N ATOM 1223 CA ASN A 77 -0.762 3.432 10.789 1.00 0.00 C ATOM 1224 C ASN A 77 -2.119 3.024 10.224 1.00 0.00 C ATOM 1225 O ASN A 77 -2.996 2.571 10.958 1.00 0.00 O ATOM 1226 CB ASN A 77 -0.899 3.785 12.271 1.00 0.00 C ATOM 1227 CG ASN A 77 0.291 4.568 12.792 1.00 0.00 C ATOM 1228 OD1 ASN A 77 0.596 5.655 12.301 1.00 0.00 O ATOM 1229 ND2 ASN A 77 0.970 4.017 13.791 1.00 0.00 N ATOM 0 H ASN A 77 0.763 4.443 9.763 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.077 2.590 10.685 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.808 4.368 12.420 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.010 2.869 12.851 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.781 4.497 14.183 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.681 3.114 14.167 1.00 0.00 H new ATOM 1236 N GLU A 78 -2.283 3.188 8.915 1.00 0.00 N ATOM 1237 CA GLU A 78 -3.533 2.837 8.252 1.00 0.00 C ATOM 1238 C GLU A 78 -3.572 1.348 7.917 1.00 0.00 C ATOM 1239 O GLU A 78 -2.602 0.623 8.142 1.00 0.00 O ATOM 1240 CB GLU A 78 -3.710 3.663 6.977 1.00 0.00 C ATOM 1241 CG GLU A 78 -4.141 5.097 7.235 1.00 0.00 C ATOM 1242 CD GLU A 78 -5.342 5.187 8.156 1.00 0.00 C ATOM 1243 OE1 GLU A 78 -6.213 4.295 8.087 1.00 0.00 O ATOM 1244 OE2 GLU A 78 -5.410 6.151 8.948 1.00 0.00 O ATOM 0 H GLU A 78 -1.566 3.562 8.293 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.352 3.059 8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.770 3.669 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.451 3.179 6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.310 5.649 7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.378 5.578 6.286 1.00 0.00 H new ATOM 1251 N THR A 79 -4.700 0.898 7.377 1.00 0.00 N ATOM 1252 CA THR A 79 -4.868 -0.503 7.012 1.00 0.00 C ATOM 1253 C THR A 79 -5.522 -0.640 5.643 1.00 0.00 C ATOM 1254 O THR A 79 -6.623 -0.137 5.416 1.00 0.00 O ATOM 1255 CB THR A 79 -5.717 -1.257 8.053 1.00 0.00 C ATOM 1256 OG1 THR A 79 -5.066 -1.233 9.327 1.00 0.00 O ATOM 1257 CG2 THR A 79 -5.948 -2.697 7.621 1.00 0.00 C ATOM 0 H THR A 79 -5.512 1.484 7.183 1.00 0.00 H new ATOM 0 HA THR A 79 -3.871 -0.943 6.980 1.00 0.00 H new ATOM 0 HB THR A 79 -6.683 -0.759 8.132 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.613 -1.713 9.983 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.550 -3.210 8.371 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.471 -2.711 6.665 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.989 -3.204 7.517 1.00 0.00 H new ATOM 1265 N PHE A 80 -4.839 -1.324 4.731 1.00 0.00 N ATOM 1266 CA PHE A 80 -5.355 -1.527 3.382 1.00 0.00 C ATOM 1267 C PHE A 80 -5.848 -2.959 3.198 1.00 0.00 C ATOM 1268 O PHE A 80 -5.261 -3.903 3.729 1.00 0.00 O ATOM 1269 CB PHE A 80 -4.273 -1.211 2.347 1.00 0.00 C ATOM 1270 CG PHE A 80 -3.890 0.241 2.305 1.00 0.00 C ATOM 1271 CD1 PHE A 80 -2.874 0.726 3.114 1.00 0.00 C ATOM 1272 CD2 PHE A 80 -4.545 1.120 1.458 1.00 0.00 C ATOM 1273 CE1 PHE A 80 -2.518 2.061 3.077 1.00 0.00 C ATOM 1274 CE2 PHE A 80 -4.193 2.456 1.418 1.00 0.00 C ATOM 1275 CZ PHE A 80 -3.179 2.927 2.229 1.00 0.00 C ATOM 0 H PHE A 80 -3.927 -1.747 4.902 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.197 -0.850 3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.387 -1.806 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.625 -1.515 1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.355 0.053 3.781 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.339 0.757 0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.724 2.426 3.711 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.711 3.131 0.753 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.904 3.971 2.200 1.00 0.00 H new ATOM 1285 N LEU A 81 -6.930 -3.114 2.443 1.00 0.00 N ATOM 1286 CA LEU A 81 -7.503 -4.430 2.188 1.00 0.00 C ATOM 1287 C LEU A 81 -7.791 -4.621 0.703 1.00 0.00 C ATOM 1288 O LEU A 81 -8.436 -3.783 0.072 1.00 0.00 O ATOM 1289 CB LEU A 81 -8.789 -4.613 2.996 1.00 0.00 C ATOM 1290 CG LEU A 81 -8.644 -4.535 4.516 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -10.008 -4.412 5.178 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -7.901 -5.754 5.044 1.00 0.00 C ATOM 0 H LEU A 81 -7.428 -2.344 1.997 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.776 -5.181 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.504 -3.853 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.219 -5.582 2.741 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.063 -3.646 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.884 -4.358 6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.504 -3.508 4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.615 -5.282 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.807 -5.682 6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.455 -6.657 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.908 -5.797 4.596 1.00 0.00 H new ATOM 1304 N PHE A 82 -7.311 -5.729 0.149 1.00 0.00 N ATOM 1305 CA PHE A 82 -7.518 -6.031 -1.262 1.00 0.00 C ATOM 1306 C PHE A 82 -8.331 -7.311 -1.432 1.00 0.00 C ATOM 1307 O PHE A 82 -7.804 -8.415 -1.300 1.00 0.00 O ATOM 1308 CB PHE A 82 -6.173 -6.170 -1.979 1.00 0.00 C ATOM 1309 CG PHE A 82 -5.414 -4.878 -2.085 1.00 0.00 C ATOM 1310 CD1 PHE A 82 -5.699 -3.973 -3.095 1.00 0.00 C ATOM 1311 CD2 PHE A 82 -4.417 -4.567 -1.174 1.00 0.00 C ATOM 1312 CE1 PHE A 82 -5.002 -2.784 -3.196 1.00 0.00 C ATOM 1313 CE2 PHE A 82 -3.717 -3.379 -1.270 1.00 0.00 C ATOM 1314 CZ PHE A 82 -4.010 -2.486 -2.281 1.00 0.00 C ATOM 0 H PHE A 82 -6.775 -6.433 0.656 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.075 -5.206 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.561 -6.899 -1.448 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.343 -6.565 -2.980 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.475 -4.200 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.184 -5.261 -0.380 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.232 -2.088 -3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.941 -3.150 -0.554 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.465 -1.557 -2.357 1.00 0.00 H new ATOM 1324 N GLU A 83 -9.618 -7.153 -1.724 1.00 0.00 N ATOM 1325 CA GLU A 83 -10.505 -8.295 -1.910 1.00 0.00 C ATOM 1326 C GLU A 83 -10.654 -8.633 -3.390 1.00 0.00 C ATOM 1327 O GLU A 83 -10.688 -7.745 -4.241 1.00 0.00 O ATOM 1328 CB GLU A 83 -11.878 -8.008 -1.300 1.00 0.00 C ATOM 1329 CG GLU A 83 -11.820 -7.579 0.156 1.00 0.00 C ATOM 1330 CD GLU A 83 -13.144 -7.766 0.873 1.00 0.00 C ATOM 1331 OE1 GLU A 83 -13.475 -8.921 1.214 1.00 0.00 O ATOM 1332 OE2 GLU A 83 -13.848 -6.758 1.092 1.00 0.00 O ATOM 0 H GLU A 83 -10.070 -6.245 -1.837 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.062 -9.152 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.368 -7.227 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.497 -8.902 -1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.049 -8.153 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.526 -6.531 0.211 1.00 0.00 H new ATOM 1339 N GLY A 84 -10.741 -9.926 -3.691 1.00 0.00 N ATOM 1340 CA GLY A 84 -10.885 -10.359 -5.068 1.00 0.00 C ATOM 1341 C GLY A 84 -9.614 -10.978 -5.616 1.00 0.00 C ATOM 1342 O GLY A 84 -9.558 -11.367 -6.783 1.00 0.00 O ATOM 0 H GLY A 84 -10.714 -10.681 -3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.697 -11.083 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.167 -9.507 -5.686 1.00 0.00 H new ATOM 1346 N PHE A 85 -8.591 -11.069 -4.774 1.00 0.00 N ATOM 1347 CA PHE A 85 -7.314 -11.643 -5.181 1.00 0.00 C ATOM 1348 C PHE A 85 -6.938 -12.823 -4.289 1.00 0.00 C ATOM 1349 O PHE A 85 -6.670 -12.672 -3.097 1.00 0.00 O ATOM 1350 CB PHE A 85 -6.214 -10.581 -5.131 1.00 0.00 C ATOM 1351 CG PHE A 85 -6.061 -9.815 -6.414 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -7.096 -9.027 -6.893 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -4.883 -9.881 -7.140 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -6.958 -8.322 -8.073 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -4.739 -9.177 -8.321 1.00 0.00 C ATOM 1356 CZ PHE A 85 -5.778 -8.396 -8.787 1.00 0.00 C ATOM 0 H PHE A 85 -8.621 -10.752 -3.805 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.416 -12.003 -6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.432 -9.882 -4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.266 -11.062 -4.889 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.020 -8.964 -6.338 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.067 -10.490 -6.779 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.772 -7.713 -8.437 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.816 -9.238 -8.878 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.668 -7.844 -9.709 1.00 0.00 H new ATOM 1366 N PRO A 86 -6.919 -14.027 -4.880 1.00 0.00 N ATOM 1367 CA PRO A 86 -6.578 -15.257 -4.158 1.00 0.00 C ATOM 1368 C PRO A 86 -5.104 -15.313 -3.772 1.00 0.00 C ATOM 1369 O PRO A 86 -4.237 -14.874 -4.529 1.00 0.00 O ATOM 1370 CB PRO A 86 -6.910 -16.362 -5.164 1.00 0.00 C ATOM 1371 CG PRO A 86 -6.795 -15.708 -6.497 1.00 0.00 C ATOM 1372 CD PRO A 86 -7.227 -14.281 -6.297 1.00 0.00 C ATOM 0 HA PRO A 86 -7.121 -15.341 -3.217 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.219 -17.200 -5.073 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.913 -16.757 -5.002 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.772 -15.757 -6.869 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.426 -16.207 -7.232 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.685 -13.601 -6.954 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.288 -14.149 -6.507 1.00 0.00 H new ATOM 1380 N TYR A 87 -4.826 -15.856 -2.592 1.00 0.00 N ATOM 1381 CA TYR A 87 -3.456 -15.968 -2.105 1.00 0.00 C ATOM 1382 C TYR A 87 -2.541 -16.542 -3.182 1.00 0.00 C ATOM 1383 O TYR A 87 -1.447 -16.030 -3.420 1.00 0.00 O ATOM 1384 CB TYR A 87 -3.407 -16.848 -0.855 1.00 0.00 C ATOM 1385 CG TYR A 87 -2.025 -17.374 -0.540 1.00 0.00 C ATOM 1386 CD1 TYR A 87 -1.474 -18.418 -1.273 1.00 0.00 C ATOM 1387 CD2 TYR A 87 -1.271 -16.829 0.492 1.00 0.00 C ATOM 1388 CE1 TYR A 87 -0.213 -18.904 -0.988 1.00 0.00 C ATOM 1389 CE2 TYR A 87 -0.008 -17.307 0.783 1.00 0.00 C ATOM 1390 CZ TYR A 87 0.517 -18.344 0.041 1.00 0.00 C ATOM 1391 OH TYR A 87 1.774 -18.824 0.329 1.00 0.00 O ATOM 0 H TYR A 87 -5.531 -16.226 -1.955 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.105 -14.968 -1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.772 -16.275 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.086 -17.690 -0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.042 -18.857 -2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.679 -16.018 1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.199 -19.717 -1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.565 -16.871 1.588 1.00 0.00 H new ATOM 0 HH TYR A 87 2.152 -18.320 1.080 1.00 0.00 H new ATOM 1401 N GLU A 88 -2.997 -17.610 -3.830 1.00 0.00 N ATOM 1402 CA GLU A 88 -2.219 -18.255 -4.881 1.00 0.00 C ATOM 1403 C GLU A 88 -1.741 -17.234 -5.909 1.00 0.00 C ATOM 1404 O GLU A 88 -0.704 -17.416 -6.546 1.00 0.00 O ATOM 1405 CB GLU A 88 -3.052 -19.338 -5.571 1.00 0.00 C ATOM 1406 CG GLU A 88 -4.124 -18.784 -6.495 1.00 0.00 C ATOM 1407 CD GLU A 88 -4.471 -19.737 -7.622 1.00 0.00 C ATOM 1408 OE1 GLU A 88 -3.599 -19.983 -8.482 1.00 0.00 O ATOM 1409 OE2 GLU A 88 -5.615 -20.237 -7.645 1.00 0.00 O ATOM 0 H GLU A 88 -3.900 -18.046 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.346 -18.716 -4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.388 -19.985 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.525 -19.960 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.022 -18.569 -5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.783 -17.838 -6.916 1.00 0.00 H new ATOM 1416 N LYS A 89 -2.506 -16.158 -6.065 1.00 0.00 N ATOM 1417 CA LYS A 89 -2.162 -15.106 -7.014 1.00 0.00 C ATOM 1418 C LYS A 89 -1.411 -13.973 -6.321 1.00 0.00 C ATOM 1419 O LYS A 89 -0.319 -13.591 -6.741 1.00 0.00 O ATOM 1420 CB LYS A 89 -3.426 -14.561 -7.682 1.00 0.00 C ATOM 1421 CG LYS A 89 -3.956 -15.448 -8.795 1.00 0.00 C ATOM 1422 CD LYS A 89 -4.944 -14.704 -9.679 1.00 0.00 C ATOM 1423 CE LYS A 89 -5.181 -15.438 -10.990 1.00 0.00 C ATOM 1424 NZ LYS A 89 -6.259 -16.458 -10.868 1.00 0.00 N ATOM 0 H LYS A 89 -3.368 -15.992 -5.546 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.512 -15.536 -7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.202 -14.438 -6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.215 -13.571 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.125 -15.809 -9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.440 -16.324 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.890 -14.586 -9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.567 -13.702 -9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.447 -14.720 -11.765 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.257 -15.922 -11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.390 -16.936 -11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.994 -17.158 -10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.147 -15.993 -10.590 1.00 0.00 H new ATOM 1438 N VAL A 90 -2.004 -13.439 -5.258 1.00 0.00 N ATOM 1439 CA VAL A 90 -1.390 -12.352 -4.506 1.00 0.00 C ATOM 1440 C VAL A 90 0.100 -12.598 -4.300 1.00 0.00 C ATOM 1441 O VAL A 90 0.890 -11.658 -4.210 1.00 0.00 O ATOM 1442 CB VAL A 90 -2.063 -12.169 -3.132 1.00 0.00 C ATOM 1443 CG1 VAL A 90 -1.411 -13.070 -2.094 1.00 0.00 C ATOM 1444 CG2 VAL A 90 -2.003 -10.712 -2.699 1.00 0.00 C ATOM 0 H VAL A 90 -2.909 -13.742 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.528 -11.445 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.111 -12.455 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.899 -12.927 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.512 -14.111 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.354 -12.818 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.483 -10.601 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.962 -10.396 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.521 -10.093 -3.432 1.00 0.00 H new ATOM 1454 N VAL A 91 0.480 -13.870 -4.228 1.00 0.00 N ATOM 1455 CA VAL A 91 1.876 -14.242 -4.035 1.00 0.00 C ATOM 1456 C VAL A 91 2.708 -13.914 -5.270 1.00 0.00 C ATOM 1457 O VAL A 91 3.840 -13.443 -5.160 1.00 0.00 O ATOM 1458 CB VAL A 91 2.019 -15.742 -3.716 1.00 0.00 C ATOM 1459 CG1 VAL A 91 1.433 -16.055 -2.348 1.00 0.00 C ATOM 1460 CG2 VAL A 91 1.353 -16.581 -4.796 1.00 0.00 C ATOM 0 H VAL A 91 -0.160 -14.661 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 91 2.244 -13.662 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 91 3.080 -15.993 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.543 -17.119 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.960 -15.480 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.376 -15.790 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.463 -17.638 -4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.294 -16.330 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.824 -16.377 -5.758 1.00 0.00 H new ATOM 1470 N GLN A 92 2.138 -14.167 -6.444 1.00 0.00 N ATOM 1471 CA GLN A 92 2.828 -13.899 -7.700 1.00 0.00 C ATOM 1472 C GLN A 92 3.006 -12.399 -7.914 1.00 0.00 C ATOM 1473 O GLN A 92 3.765 -11.972 -8.785 1.00 0.00 O ATOM 1474 CB GLN A 92 2.052 -14.504 -8.871 1.00 0.00 C ATOM 1475 CG GLN A 92 1.663 -15.958 -8.657 1.00 0.00 C ATOM 1476 CD GLN A 92 1.223 -16.639 -9.937 1.00 0.00 C ATOM 1477 OE1 GLN A 92 2.030 -17.251 -10.638 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.064 -16.538 -10.250 1.00 0.00 N ATOM 0 H GLN A 92 1.201 -14.557 -6.551 1.00 0.00 H new ATOM 0 HA GLN A 92 3.814 -14.360 -7.649 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.150 -13.916 -9.040 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.657 -14.428 -9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.510 -16.498 -8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.856 -16.010 -7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.698 -16.021 -9.641 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.418 -16.977 -11.100 1.00 0.00 H new ATOM 1487 N ARG A 93 2.303 -11.605 -7.114 1.00 0.00 N ATOM 1488 CA ARG A 93 2.382 -10.153 -7.218 1.00 0.00 C ATOM 1489 C ARG A 93 3.482 -9.603 -6.314 1.00 0.00 C ATOM 1490 O ARG A 93 4.022 -10.320 -5.471 1.00 0.00 O ATOM 1491 CB ARG A 93 1.040 -9.519 -6.848 1.00 0.00 C ATOM 1492 CG ARG A 93 -0.140 -10.108 -7.604 1.00 0.00 C ATOM 1493 CD ARG A 93 -0.154 -9.654 -9.055 1.00 0.00 C ATOM 1494 NE ARG A 93 -1.484 -9.757 -9.649 1.00 0.00 N ATOM 1495 CZ ARG A 93 -1.997 -10.893 -10.109 1.00 0.00 C ATOM 1496 NH1 ARG A 93 -1.295 -12.016 -10.045 1.00 0.00 N ATOM 1497 NH2 ARG A 93 -3.215 -10.907 -10.635 1.00 0.00 N ATOM 0 H ARG A 93 1.672 -11.942 -6.387 1.00 0.00 H new ATOM 0 HA ARG A 93 2.622 -9.901 -8.251 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.873 -9.641 -5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.088 -8.448 -7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.094 -11.196 -7.562 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.070 -9.810 -7.119 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.191 -8.622 -9.115 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.548 -10.258 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.050 -8.911 -9.714 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.358 -12.010 -9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.692 -12.886 -10.399 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.758 -10.045 -10.686 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.608 -11.780 -10.988 1.00 0.00 H new ATOM 1511 N ILE A 94 3.809 -8.328 -6.496 1.00 0.00 N ATOM 1512 CA ILE A 94 4.843 -7.683 -5.698 1.00 0.00 C ATOM 1513 C ILE A 94 4.326 -6.395 -5.065 1.00 0.00 C ATOM 1514 O ILE A 94 3.560 -5.652 -5.680 1.00 0.00 O ATOM 1515 CB ILE A 94 6.089 -7.361 -6.544 1.00 0.00 C ATOM 1516 CG1 ILE A 94 6.869 -8.641 -6.850 1.00 0.00 C ATOM 1517 CG2 ILE A 94 6.974 -6.355 -5.823 1.00 0.00 C ATOM 1518 CD1 ILE A 94 7.630 -8.587 -8.157 1.00 0.00 C ATOM 0 H ILE A 94 3.372 -7.721 -7.190 1.00 0.00 H new ATOM 0 HA ILE A 94 5.119 -8.386 -4.912 1.00 0.00 H new ATOM 0 HB ILE A 94 5.765 -6.920 -7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.571 -8.832 -6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 94 6.176 -9.482 -6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.850 -6.138 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.414 -5.435 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.292 -6.770 -4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 94 8.159 -9.528 -8.309 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.932 -8.427 -8.978 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.348 -7.767 -8.126 1.00 0.00 H new ATOM 1530 N LEU A 95 4.751 -6.137 -3.833 1.00 0.00 N ATOM 1531 CA LEU A 95 4.332 -4.937 -3.116 1.00 0.00 C ATOM 1532 C LEU A 95 5.164 -3.731 -3.540 1.00 0.00 C ATOM 1533 O LEU A 95 6.389 -3.732 -3.410 1.00 0.00 O ATOM 1534 CB LEU A 95 4.457 -5.152 -1.606 1.00 0.00 C ATOM 1535 CG LEU A 95 3.701 -4.160 -0.722 1.00 0.00 C ATOM 1536 CD1 LEU A 95 2.200 -4.307 -0.917 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.073 -4.357 0.740 1.00 0.00 C ATOM 0 H LEU A 95 5.385 -6.742 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 95 3.289 -4.741 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.106 -6.157 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.513 -5.113 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 95 3.987 -3.150 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.679 -3.593 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.948 -4.114 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.896 -5.320 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.525 -3.642 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.817 -5.371 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.144 -4.199 0.867 1.00 0.00 H new ATOM 1549 N TYR A 96 4.491 -2.703 -4.045 1.00 0.00 N ATOM 1550 CA TYR A 96 5.168 -1.490 -4.488 1.00 0.00 C ATOM 1551 C TYR A 96 4.741 -0.290 -3.649 1.00 0.00 C ATOM 1552 O TYR A 96 3.589 0.142 -3.702 1.00 0.00 O ATOM 1553 CB TYR A 96 4.870 -1.226 -5.965 1.00 0.00 C ATOM 1554 CG TYR A 96 5.735 -0.145 -6.573 1.00 0.00 C ATOM 1555 CD1 TYR A 96 7.028 -0.421 -7.002 1.00 0.00 C ATOM 1556 CD2 TYR A 96 5.260 1.152 -6.720 1.00 0.00 C ATOM 1557 CE1 TYR A 96 7.822 0.564 -7.557 1.00 0.00 C ATOM 1558 CE2 TYR A 96 6.046 2.143 -7.275 1.00 0.00 C ATOM 1559 CZ TYR A 96 7.327 1.844 -7.692 1.00 0.00 C ATOM 1560 OH TYR A 96 8.114 2.827 -8.246 1.00 0.00 O ATOM 0 H TYR A 96 3.477 -2.686 -4.158 1.00 0.00 H new ATOM 0 HA TYR A 96 6.241 -1.636 -4.360 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.010 -2.150 -6.526 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.822 -0.944 -6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.419 -1.423 -6.900 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.258 1.390 -6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.825 0.333 -7.883 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.660 3.146 -7.382 1.00 0.00 H new ATOM 0 HH TYR A 96 7.546 3.482 -8.704 1.00 0.00 H new ATOM 1570 N LEU A 97 5.679 0.245 -2.874 1.00 0.00 N ATOM 1571 CA LEU A 97 5.402 1.397 -2.023 1.00 0.00 C ATOM 1572 C LEU A 97 6.286 2.580 -2.403 1.00 0.00 C ATOM 1573 O LEU A 97 7.508 2.519 -2.276 1.00 0.00 O ATOM 1574 CB LEU A 97 5.620 1.034 -0.553 1.00 0.00 C ATOM 1575 CG LEU A 97 4.976 -0.270 -0.081 1.00 0.00 C ATOM 1576 CD1 LEU A 97 5.683 -0.797 1.158 1.00 0.00 C ATOM 1577 CD2 LEU A 97 3.494 -0.063 0.196 1.00 0.00 C ATOM 0 H LEU A 97 6.637 -0.100 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 97 4.361 1.684 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.693 0.973 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.237 1.848 0.062 1.00 0.00 H new ATOM 0 HG LEU A 97 5.077 -1.011 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.211 -1.725 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.732 -0.984 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.614 -0.059 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.052 -1.001 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.371 0.693 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.996 0.268 -0.716 1.00 0.00 H new ATOM 1589 N GLN A 98 5.658 3.656 -2.867 1.00 0.00 N ATOM 1590 CA GLN A 98 6.389 4.854 -3.264 1.00 0.00 C ATOM 1591 C GLN A 98 5.937 6.062 -2.449 1.00 0.00 C ATOM 1592 O GLN A 98 4.749 6.378 -2.395 1.00 0.00 O ATOM 1593 CB GLN A 98 6.191 5.127 -4.756 1.00 0.00 C ATOM 1594 CG GLN A 98 7.196 6.110 -5.333 1.00 0.00 C ATOM 1595 CD GLN A 98 7.167 6.153 -6.848 1.00 0.00 C ATOM 1596 OE1 GLN A 98 8.094 6.898 -7.438 1.00 0.00 O flip ATOM 1597 NE2 GLN A 98 6.320 5.523 -7.482 1.00 0.00 N flip ATOM 0 H GLN A 98 4.646 3.723 -2.977 1.00 0.00 H new ATOM 0 HA GLN A 98 7.448 4.684 -3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.261 4.186 -5.302 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.184 5.513 -4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.990 7.106 -4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.197 5.837 -5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.626 4.963 -6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.313 5.561 -8.501 1.00 0.00 H new ATOM 1606 N VAL A 99 6.894 6.733 -1.816 1.00 0.00 N ATOM 1607 CA VAL A 99 6.594 7.907 -1.004 1.00 0.00 C ATOM 1608 C VAL A 99 7.017 9.188 -1.714 1.00 0.00 C ATOM 1609 O VAL A 99 8.207 9.437 -1.914 1.00 0.00 O ATOM 1610 CB VAL A 99 7.296 7.836 0.365 1.00 0.00 C ATOM 1611 CG1 VAL A 99 7.082 9.127 1.142 1.00 0.00 C ATOM 1612 CG2 VAL A 99 6.797 6.638 1.158 1.00 0.00 C ATOM 0 H VAL A 99 7.883 6.484 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 99 5.515 7.919 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 99 8.366 7.713 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.585 9.059 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.493 9.964 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.015 9.284 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.304 6.603 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.722 6.728 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.007 5.723 0.605 1.00 0.00 H new ATOM 1622 N LEU A 100 6.036 10.000 -2.093 1.00 0.00 N ATOM 1623 CA LEU A 100 6.305 11.258 -2.781 1.00 0.00 C ATOM 1624 C LEU A 100 5.844 12.446 -1.943 1.00 0.00 C ATOM 1625 O LEU A 100 5.177 12.277 -0.923 1.00 0.00 O ATOM 1626 CB LEU A 100 5.608 11.277 -4.142 1.00 0.00 C ATOM 1627 CG LEU A 100 5.797 10.032 -5.010 1.00 0.00 C ATOM 1628 CD1 LEU A 100 4.738 8.990 -4.686 1.00 0.00 C ATOM 1629 CD2 LEU A 100 5.751 10.400 -6.486 1.00 0.00 C ATOM 0 H LEU A 100 5.046 9.809 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 100 7.382 11.339 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.540 11.423 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.967 12.142 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 100 6.776 9.605 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.888 8.111 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.817 8.705 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.748 9.406 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.887 9.502 -7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.786 10.851 -6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.547 11.111 -6.709 1.00 0.00 H new ATOM 1641 N ASP A 101 6.201 13.647 -2.384 1.00 0.00 N ATOM 1642 CA ASP A 101 5.821 14.865 -1.677 1.00 0.00 C ATOM 1643 C ASP A 101 4.700 15.592 -2.412 1.00 0.00 C ATOM 1644 O ASP A 101 4.941 16.293 -3.395 1.00 0.00 O ATOM 1645 CB ASP A 101 7.030 15.789 -1.522 1.00 0.00 C ATOM 1646 CG ASP A 101 6.636 17.252 -1.460 1.00 0.00 C ATOM 1647 OD1 ASP A 101 5.840 17.614 -0.569 1.00 0.00 O ATOM 1648 OD2 ASP A 101 7.124 18.034 -2.303 1.00 0.00 O ATOM 0 H ASP A 101 6.753 13.804 -3.227 1.00 0.00 H new ATOM 0 HA ASP A 101 5.460 14.584 -0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.573 15.523 -0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.712 15.634 -2.358 1.00 0.00 H new ATOM 1791 N PRO A 110 9.156 12.126 -7.112 1.00 0.00 N ATOM 1792 CA PRO A 110 9.196 10.942 -6.249 1.00 0.00 C ATOM 1793 C PRO A 110 10.459 10.888 -5.397 1.00 0.00 C ATOM 1794 O PRO A 110 11.573 10.986 -5.915 1.00 0.00 O ATOM 1795 CB PRO A 110 9.171 9.777 -7.243 1.00 0.00 C ATOM 1796 CG PRO A 110 9.740 10.340 -8.499 1.00 0.00 C ATOM 1797 CD PRO A 110 9.319 11.783 -8.535 1.00 0.00 C ATOM 0 HA PRO A 110 8.372 10.930 -5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.763 8.936 -6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.156 9.410 -7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.826 10.250 -8.510 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.367 9.803 -9.371 1.00 0.00 H new ATOM 0 HD2 PRO A 110 10.071 12.409 -9.016 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.390 11.917 -9.090 1.00 0.00 H new ATOM 1805 N ILE A 111 10.280 10.732 -4.090 1.00 0.00 N ATOM 1806 CA ILE A 111 11.406 10.664 -3.167 1.00 0.00 C ATOM 1807 C ILE A 111 12.099 9.308 -3.245 1.00 0.00 C ATOM 1808 O ILE A 111 13.268 9.216 -3.616 1.00 0.00 O ATOM 1809 CB ILE A 111 10.961 10.918 -1.715 1.00 0.00 C ATOM 1810 CG1 ILE A 111 10.079 12.166 -1.640 1.00 0.00 C ATOM 1811 CG2 ILE A 111 12.173 11.065 -0.807 1.00 0.00 C ATOM 1812 CD1 ILE A 111 9.578 12.470 -0.246 1.00 0.00 C ATOM 0 H ILE A 111 9.365 10.650 -3.646 1.00 0.00 H new ATOM 0 HA ILE A 111 12.106 11.445 -3.465 1.00 0.00 H new ATOM 0 HB ILE A 111 10.378 10.062 -1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 111 10.643 13.022 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.224 12.037 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 111 11.842 11.244 0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 111 12.766 10.151 -0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 111 12.780 11.905 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 111 8.960 13.367 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 111 8.986 11.631 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 111 10.427 12.631 0.419 1.00 0.00 H new ATOM 1824 N GLY A 112 11.367 8.255 -2.893 1.00 0.00 N ATOM 1825 CA GLY A 112 11.927 6.916 -2.932 1.00 0.00 C ATOM 1826 C GLY A 112 10.866 5.849 -3.108 1.00 0.00 C ATOM 1827 O GLY A 112 9.688 6.087 -2.845 1.00 0.00 O ATOM 0 H GLY A 112 10.397 8.305 -2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.644 6.849 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.477 6.729 -2.010 1.00 0.00 H new ATOM 1831 N GLU A 113 11.284 4.669 -3.556 1.00 0.00 N ATOM 1832 CA GLU A 113 10.359 3.562 -3.770 1.00 0.00 C ATOM 1833 C GLU A 113 10.967 2.245 -3.296 1.00 0.00 C ATOM 1834 O GLU A 113 12.188 2.099 -3.235 1.00 0.00 O ATOM 1835 CB GLU A 113 9.984 3.460 -5.250 1.00 0.00 C ATOM 1836 CG GLU A 113 11.151 3.091 -6.150 1.00 0.00 C ATOM 1837 CD GLU A 113 11.490 1.614 -6.090 1.00 0.00 C ATOM 1838 OE1 GLU A 113 10.569 0.804 -5.853 1.00 0.00 O ATOM 1839 OE2 GLU A 113 12.675 1.269 -6.278 1.00 0.00 O ATOM 0 H GLU A 113 12.256 4.455 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 113 9.459 3.757 -3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 113 9.197 2.715 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.571 4.414 -5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.912 3.364 -7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 113 12.026 3.673 -5.861 1.00 0.00 H new ATOM 1846 N VAL A 114 10.107 1.289 -2.962 1.00 0.00 N ATOM 1847 CA VAL A 114 10.558 -0.016 -2.494 1.00 0.00 C ATOM 1848 C VAL A 114 9.761 -1.140 -3.146 1.00 0.00 C ATOM 1849 O VAL A 114 8.559 -1.008 -3.379 1.00 0.00 O ATOM 1850 CB VAL A 114 10.436 -0.137 -0.963 1.00 0.00 C ATOM 1851 CG1 VAL A 114 11.290 -1.285 -0.448 1.00 0.00 C ATOM 1852 CG2 VAL A 114 10.828 1.172 -0.293 1.00 0.00 C ATOM 0 H VAL A 114 9.093 1.394 -3.007 1.00 0.00 H new ATOM 0 HA VAL A 114 11.607 -0.107 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 114 9.396 -0.350 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.191 -1.355 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.958 -2.218 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.334 -1.106 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.736 1.069 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.859 1.417 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.170 1.969 -0.639 1.00 0.00 H new ATOM 1862 N SER A 115 10.437 -2.246 -3.438 1.00 0.00 N ATOM 1863 CA SER A 115 9.792 -3.393 -4.067 1.00 0.00 C ATOM 1864 C SER A 115 10.073 -4.671 -3.283 1.00 0.00 C ATOM 1865 O SER A 115 11.221 -4.971 -2.954 1.00 0.00 O ATOM 1866 CB SER A 115 10.276 -3.549 -5.510 1.00 0.00 C ATOM 1867 OG SER A 115 11.655 -3.874 -5.553 1.00 0.00 O ATOM 0 H SER A 115 11.431 -2.373 -3.249 1.00 0.00 H new ATOM 0 HA SER A 115 8.716 -3.218 -4.069 1.00 0.00 H new ATOM 0 HB2 SER A 115 9.700 -4.329 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.100 -2.623 -6.058 1.00 0.00 H new ATOM 0 HG SER A 115 11.901 -4.365 -4.741 1.00 0.00 H new ATOM 1873 N ILE A 116 9.017 -5.421 -2.988 1.00 0.00 N ATOM 1874 CA ILE A 116 9.149 -6.667 -2.244 1.00 0.00 C ATOM 1875 C ILE A 116 8.072 -7.667 -2.651 1.00 0.00 C ATOM 1876 O ILE A 116 6.874 -7.403 -2.549 1.00 0.00 O ATOM 1877 CB ILE A 116 9.064 -6.428 -0.725 1.00 0.00 C ATOM 1878 CG1 ILE A 116 10.073 -5.361 -0.298 1.00 0.00 C ATOM 1879 CG2 ILE A 116 9.306 -7.727 0.030 1.00 0.00 C ATOM 1880 CD1 ILE A 116 10.001 -5.016 1.173 1.00 0.00 C ATOM 0 H ILE A 116 8.060 -5.187 -3.253 1.00 0.00 H new ATOM 0 HA ILE A 116 10.131 -7.075 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 116 8.063 -6.072 -0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 116 11.079 -5.709 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.904 -4.457 -0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 116 9.243 -7.542 1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.552 -8.460 -0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 116 10.297 -8.111 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 116 10.744 -4.253 1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 116 9.007 -4.637 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 116 10.200 -5.909 1.766 1.00 0.00 H new ATOM 1892 N PRO A 117 8.506 -8.845 -3.122 1.00 0.00 N ATOM 1893 CA PRO A 117 7.595 -9.910 -3.552 1.00 0.00 C ATOM 1894 C PRO A 117 6.849 -10.542 -2.382 1.00 0.00 C ATOM 1895 O PRO A 117 7.462 -11.085 -1.461 1.00 0.00 O ATOM 1896 CB PRO A 117 8.527 -10.933 -4.206 1.00 0.00 C ATOM 1897 CG PRO A 117 9.852 -10.703 -3.564 1.00 0.00 C ATOM 1898 CD PRO A 117 9.920 -9.229 -3.272 1.00 0.00 C ATOM 0 HA PRO A 117 6.817 -9.536 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 117 8.177 -11.952 -4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.579 -10.788 -5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 117 9.949 -11.287 -2.649 1.00 0.00 H new ATOM 0 HG3 PRO A 117 10.664 -11.008 -4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 117 10.490 -9.025 -2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.402 -8.681 -4.082 1.00 0.00 H new ATOM 1906 N LEU A 118 5.523 -10.469 -2.423 1.00 0.00 N ATOM 1907 CA LEU A 118 4.692 -11.035 -1.365 1.00 0.00 C ATOM 1908 C LEU A 118 4.900 -12.542 -1.257 1.00 0.00 C ATOM 1909 O LEU A 118 4.472 -13.170 -0.290 1.00 0.00 O ATOM 1910 CB LEU A 118 3.217 -10.730 -1.630 1.00 0.00 C ATOM 1911 CG LEU A 118 2.797 -9.267 -1.484 1.00 0.00 C ATOM 1912 CD1 LEU A 118 1.479 -9.016 -2.200 1.00 0.00 C ATOM 1913 CD2 LEU A 118 2.690 -8.887 -0.015 1.00 0.00 C ATOM 0 H LEU A 118 5.000 -10.024 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 118 4.987 -10.577 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.975 -11.057 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.614 -11.330 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 118 3.561 -8.642 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 118 1.196 -7.970 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.591 -9.248 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.704 -9.651 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.390 -7.842 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.946 -9.519 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.657 -9.027 0.468 1.00 0.00 H new ATOM 1925 N ASN A 119 5.563 -13.116 -2.256 1.00 0.00 N ATOM 1926 CA ASN A 119 5.829 -14.550 -2.273 1.00 0.00 C ATOM 1927 C ASN A 119 6.970 -14.902 -1.322 1.00 0.00 C ATOM 1928 O ASN A 119 7.059 -16.028 -0.832 1.00 0.00 O ATOM 1929 CB ASN A 119 6.172 -15.010 -3.691 1.00 0.00 C ATOM 1930 CG ASN A 119 6.954 -16.310 -3.705 1.00 0.00 C ATOM 1931 OD1 ASN A 119 6.406 -17.379 -3.436 1.00 0.00 O ATOM 1932 ND2 ASN A 119 8.241 -16.222 -4.018 1.00 0.00 N ATOM 0 H ASN A 119 5.926 -12.610 -3.064 1.00 0.00 H new ATOM 0 HA ASN A 119 4.928 -15.066 -1.939 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.252 -15.137 -4.261 1.00 0.00 H new ATOM 0 HB3 ASN A 119 6.753 -14.235 -4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 119 8.818 -17.062 -4.043 1.00 0.00 H new ATOM 0 HD22 ASN A 119 8.652 -15.314 -4.234 1.00 0.00 H new ATOM 1939 N LYS A 120 7.840 -13.932 -1.066 1.00 0.00 N ATOM 1940 CA LYS A 120 8.975 -14.136 -0.173 1.00 0.00 C ATOM 1941 C LYS A 120 8.538 -14.062 1.286 1.00 0.00 C ATOM 1942 O LYS A 120 8.951 -14.878 2.110 1.00 0.00 O ATOM 1943 CB LYS A 120 10.060 -13.092 -0.447 1.00 0.00 C ATOM 1944 CG LYS A 120 10.892 -13.389 -1.681 1.00 0.00 C ATOM 1945 CD LYS A 120 11.837 -14.556 -1.449 1.00 0.00 C ATOM 1946 CE LYS A 120 13.042 -14.491 -2.376 1.00 0.00 C ATOM 1947 NZ LYS A 120 14.147 -13.682 -1.792 1.00 0.00 N ATOM 0 H LYS A 120 7.781 -12.995 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 120 9.381 -15.130 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.591 -12.115 -0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.719 -13.030 0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 120 10.233 -13.614 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.466 -12.504 -1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.174 -14.552 -0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.305 -15.494 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 120 13.399 -15.501 -2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.742 -14.061 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.949 -13.662 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.814 -12.712 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.450 -14.107 -0.893 1.00 0.00 H new ATOM 1961 N VAL A 121 7.701 -13.078 1.600 1.00 0.00 N ATOM 1962 CA VAL A 121 7.207 -12.899 2.960 1.00 0.00 C ATOM 1963 C VAL A 121 6.183 -13.970 3.318 1.00 0.00 C ATOM 1964 O VAL A 121 5.288 -14.277 2.530 1.00 0.00 O ATOM 1965 CB VAL A 121 6.567 -11.510 3.146 1.00 0.00 C ATOM 1966 CG1 VAL A 121 5.742 -11.134 1.925 1.00 0.00 C ATOM 1967 CG2 VAL A 121 5.715 -11.481 4.406 1.00 0.00 C ATOM 0 H VAL A 121 7.351 -12.393 0.931 1.00 0.00 H new ATOM 0 HA VAL A 121 8.067 -12.987 3.624 1.00 0.00 H new ATOM 0 HB VAL A 121 7.363 -10.774 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.298 -10.150 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.384 -11.112 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.952 -11.870 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.271 -10.493 4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.925 -12.227 4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.339 -11.702 5.272 1.00 0.00 H new ATOM 1977 N ASP A 122 6.320 -14.536 4.512 1.00 0.00 N ATOM 1978 CA ASP A 122 5.405 -15.572 4.976 1.00 0.00 C ATOM 1979 C ASP A 122 4.057 -14.974 5.364 1.00 0.00 C ATOM 1980 O ASP A 122 3.773 -14.768 6.545 1.00 0.00 O ATOM 1981 CB ASP A 122 6.008 -16.317 6.169 1.00 0.00 C ATOM 1982 CG ASP A 122 7.107 -17.277 5.756 1.00 0.00 C ATOM 1983 OD1 ASP A 122 6.862 -18.109 4.859 1.00 0.00 O ATOM 1984 OD2 ASP A 122 8.213 -17.195 6.331 1.00 0.00 O ATOM 0 H ASP A 122 7.056 -14.295 5.176 1.00 0.00 H new ATOM 0 HA ASP A 122 5.248 -16.276 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.409 -15.595 6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.222 -16.869 6.684 1.00 0.00 H new ATOM 1989 N LEU A 123 3.230 -14.694 4.363 1.00 0.00 N ATOM 1990 CA LEU A 123 1.911 -14.118 4.598 1.00 0.00 C ATOM 1991 C LEU A 123 1.163 -14.892 5.678 1.00 0.00 C ATOM 1992 O LEU A 123 0.211 -14.387 6.275 1.00 0.00 O ATOM 1993 CB LEU A 123 1.097 -14.111 3.303 1.00 0.00 C ATOM 1994 CG LEU A 123 1.585 -13.162 2.208 1.00 0.00 C ATOM 1995 CD1 LEU A 123 0.858 -13.436 0.901 1.00 0.00 C ATOM 1996 CD2 LEU A 123 1.393 -11.714 2.633 1.00 0.00 C ATOM 0 H LEU A 123 3.450 -14.857 3.380 1.00 0.00 H new ATOM 0 HA LEU A 123 2.046 -13.092 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.085 -15.124 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.066 -13.853 3.547 1.00 0.00 H new ATOM 0 HG LEU A 123 2.650 -13.336 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.219 -12.751 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.046 -14.463 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -0.213 -13.291 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.746 -11.053 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.335 -11.526 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 123 1.960 -11.524 3.544 1.00 0.00 H new ATOM 2008 N THR A 124 1.600 -16.123 5.928 1.00 0.00 N ATOM 2009 CA THR A 124 0.974 -16.967 6.937 1.00 0.00 C ATOM 2010 C THR A 124 0.750 -16.199 8.235 1.00 0.00 C ATOM 2011 O THR A 124 -0.112 -16.557 9.037 1.00 0.00 O ATOM 2012 CB THR A 124 1.826 -18.215 7.233 1.00 0.00 C ATOM 2013 OG1 THR A 124 3.084 -17.828 7.797 1.00 0.00 O ATOM 2014 CG2 THR A 124 2.060 -19.024 5.966 1.00 0.00 C ATOM 0 H THR A 124 2.386 -16.557 5.444 1.00 0.00 H new ATOM 0 HA THR A 124 0.011 -17.281 6.533 1.00 0.00 H new ATOM 0 HB THR A 124 1.284 -18.836 7.947 1.00 0.00 H new ATOM 0 HG1 THR A 124 3.619 -18.628 7.984 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.664 -19.900 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 124 1.102 -19.343 5.556 1.00 0.00 H new ATOM 0 HG23 THR A 124 2.582 -18.409 5.233 1.00 0.00 H new ATOM 2022 N GLN A 125 1.531 -15.142 8.434 1.00 0.00 N ATOM 2023 CA GLN A 125 1.417 -14.324 9.635 1.00 0.00 C ATOM 2024 C GLN A 125 1.963 -12.921 9.392 1.00 0.00 C ATOM 2025 O GLN A 125 2.782 -12.709 8.498 1.00 0.00 O ATOM 2026 CB GLN A 125 2.164 -14.980 10.798 1.00 0.00 C ATOM 2027 CG GLN A 125 3.629 -15.256 10.501 1.00 0.00 C ATOM 2028 CD GLN A 125 4.364 -15.846 11.688 1.00 0.00 C ATOM 2029 OE1 GLN A 125 5.017 -15.130 12.448 1.00 0.00 O ATOM 2030 NE2 GLN A 125 4.262 -17.160 11.855 1.00 0.00 N ATOM 0 H GLN A 125 2.249 -14.832 7.779 1.00 0.00 H new ATOM 0 HA GLN A 125 0.360 -14.244 9.890 1.00 0.00 H new ATOM 0 HB2 GLN A 125 2.095 -14.335 11.674 1.00 0.00 H new ATOM 0 HB3 GLN A 125 1.671 -15.918 11.053 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.702 -15.941 9.656 1.00 0.00 H new ATOM 0 HG3 GLN A 125 4.116 -14.328 10.202 1.00 0.00 H new ATOM 0 HE21 GLN A 125 3.710 -17.716 11.201 1.00 0.00 H new ATOM 0 HE22 GLN A 125 4.735 -17.613 12.637 1.00 0.00 H new ATOM 2039 N MET A 126 1.505 -11.966 10.194 1.00 0.00 N ATOM 2040 CA MET A 126 1.948 -10.582 10.066 1.00 0.00 C ATOM 2041 C MET A 126 3.458 -10.476 10.257 1.00 0.00 C ATOM 2042 O MET A 126 3.997 -10.919 11.271 1.00 0.00 O ATOM 2043 CB MET A 126 1.230 -9.697 11.086 1.00 0.00 C ATOM 2044 CG MET A 126 1.222 -8.224 10.713 1.00 0.00 C ATOM 2045 SD MET A 126 -0.201 -7.345 11.387 1.00 0.00 S ATOM 2046 CE MET A 126 -1.109 -6.971 9.889 1.00 0.00 C ATOM 0 H MET A 126 0.827 -12.125 10.940 1.00 0.00 H new ATOM 0 HA MET A 126 1.701 -10.239 9.061 1.00 0.00 H new ATOM 0 HB2 MET A 126 0.202 -10.042 11.194 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.709 -9.815 12.058 1.00 0.00 H new ATOM 0 HG2 MET A 126 2.138 -7.757 11.075 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.223 -8.128 9.627 1.00 0.00 H new ATOM 0 HE1 MET A 126 -1.723 -6.084 10.047 1.00 0.00 H new ATOM 0 HE2 MET A 126 -0.408 -6.787 9.075 1.00 0.00 H new ATOM 0 HE3 MET A 126 -1.750 -7.814 9.632 1.00 0.00 H new ATOM 2056 N GLN A 127 4.134 -9.886 9.276 1.00 0.00 N ATOM 2057 CA GLN A 127 5.582 -9.723 9.337 1.00 0.00 C ATOM 2058 C GLN A 127 5.989 -8.315 8.917 1.00 0.00 C ATOM 2059 O GLN A 127 5.702 -7.880 7.801 1.00 0.00 O ATOM 2060 CB GLN A 127 6.270 -10.754 8.442 1.00 0.00 C ATOM 2061 CG GLN A 127 5.686 -12.152 8.563 1.00 0.00 C ATOM 2062 CD GLN A 127 6.703 -13.238 8.269 1.00 0.00 C ATOM 2063 OE1 GLN A 127 7.480 -13.135 7.320 1.00 0.00 O ATOM 2064 NE2 GLN A 127 6.702 -14.286 9.084 1.00 0.00 N ATOM 0 H GLN A 127 3.703 -9.513 8.430 1.00 0.00 H new ATOM 0 HA GLN A 127 5.897 -9.880 10.369 1.00 0.00 H new ATOM 0 HB2 GLN A 127 6.198 -10.428 7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 127 7.330 -10.790 8.692 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.293 -12.291 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 127 4.846 -12.251 7.876 1.00 0.00 H new ATOM 0 HE21 GLN A 127 6.040 -14.329 9.858 1.00 0.00 H new ATOM 0 HE22 GLN A 127 7.364 -15.048 8.936 1.00 0.00 H new ATOM 2073 N THR A 128 6.660 -7.604 9.819 1.00 0.00 N ATOM 2074 CA THR A 128 7.106 -6.245 9.543 1.00 0.00 C ATOM 2075 C THR A 128 8.404 -6.243 8.743 1.00 0.00 C ATOM 2076 O THR A 128 9.154 -7.219 8.758 1.00 0.00 O ATOM 2077 CB THR A 128 7.317 -5.447 10.844 1.00 0.00 C ATOM 2078 OG1 THR A 128 6.282 -5.760 11.783 1.00 0.00 O ATOM 2079 CG2 THR A 128 7.322 -3.952 10.567 1.00 0.00 C ATOM 0 H THR A 128 6.906 -7.948 10.747 1.00 0.00 H new ATOM 0 HA THR A 128 6.320 -5.769 8.957 1.00 0.00 H new ATOM 0 HB THR A 128 8.284 -5.726 11.263 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.424 -5.250 12.608 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.472 -3.410 11.500 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.129 -3.713 9.874 1.00 0.00 H new ATOM 0 HG23 THR A 128 6.368 -3.660 10.127 1.00 0.00 H new ATOM 2087 N PHE A 129 8.663 -5.141 8.047 1.00 0.00 N ATOM 2088 CA PHE A 129 9.871 -5.013 7.241 1.00 0.00 C ATOM 2089 C PHE A 129 10.409 -3.586 7.290 1.00 0.00 C ATOM 2090 O PHE A 129 9.644 -2.622 7.275 1.00 0.00 O ATOM 2091 CB PHE A 129 9.587 -5.413 5.791 1.00 0.00 C ATOM 2092 CG PHE A 129 9.421 -6.893 5.599 1.00 0.00 C ATOM 2093 CD1 PHE A 129 8.180 -7.490 5.751 1.00 0.00 C ATOM 2094 CD2 PHE A 129 10.507 -7.688 5.268 1.00 0.00 C ATOM 2095 CE1 PHE A 129 8.024 -8.852 5.575 1.00 0.00 C ATOM 2096 CE2 PHE A 129 10.356 -9.051 5.090 1.00 0.00 C ATOM 2097 CZ PHE A 129 9.114 -9.633 5.245 1.00 0.00 C ATOM 0 H PHE A 129 8.053 -4.324 8.025 1.00 0.00 H new ATOM 0 HA PHE A 129 10.626 -5.682 7.654 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.682 -4.907 5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 129 10.403 -5.062 5.159 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.324 -6.884 6.010 1.00 0.00 H new ATOM 0 HD2 PHE A 129 11.481 -7.238 5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 129 7.051 -9.305 5.695 1.00 0.00 H new ATOM 0 HE2 PHE A 129 11.209 -9.660 4.830 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.995 -10.698 5.108 1.00 0.00 H new ATOM 2107 N TRP A 130 11.730 -3.460 7.351 1.00 0.00 N ATOM 2108 CA TRP A 130 12.371 -2.151 7.404 1.00 0.00 C ATOM 2109 C TRP A 130 13.343 -1.974 6.242 1.00 0.00 C ATOM 2110 O TRP A 130 14.453 -2.507 6.261 1.00 0.00 O ATOM 2111 CB TRP A 130 13.108 -1.975 8.733 1.00 0.00 C ATOM 2112 CG TRP A 130 12.212 -1.552 9.857 1.00 0.00 C ATOM 2113 CD1 TRP A 130 11.631 -2.361 10.791 1.00 0.00 C ATOM 2114 CD2 TRP A 130 11.795 -0.217 10.164 1.00 0.00 C ATOM 2115 NE1 TRP A 130 10.877 -1.610 11.660 1.00 0.00 N ATOM 2116 CE2 TRP A 130 10.961 -0.291 11.297 1.00 0.00 C ATOM 2117 CE3 TRP A 130 12.045 1.034 9.593 1.00 0.00 C ATOM 2118 CZ2 TRP A 130 10.378 0.837 11.867 1.00 0.00 C ATOM 2119 CZ3 TRP A 130 11.465 2.153 10.160 1.00 0.00 C ATOM 2120 CH2 TRP A 130 10.640 2.049 11.288 1.00 0.00 C ATOM 0 H TRP A 130 12.378 -4.248 7.365 1.00 0.00 H new ATOM 0 HA TRP A 130 11.595 -1.390 7.323 1.00 0.00 H new ATOM 0 HB2 TRP A 130 13.593 -2.914 8.998 1.00 0.00 H new ATOM 0 HB3 TRP A 130 13.897 -1.233 8.608 1.00 0.00 H new ATOM 0 HD1 TRP A 130 11.747 -3.434 10.840 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.341 -1.975 12.448 1.00 0.00 H new ATOM 0 HE3 TRP A 130 12.680 1.125 8.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.741 0.759 12.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 11.651 3.124 9.726 1.00 0.00 H new ATOM 0 HH2 TRP A 130 10.203 2.942 11.708 1.00 0.00 H new ATOM 2131 N LYS A 131 12.919 -1.222 5.232 1.00 0.00 N ATOM 2132 CA LYS A 131 13.752 -0.973 4.062 1.00 0.00 C ATOM 2133 C LYS A 131 13.966 0.523 3.855 1.00 0.00 C ATOM 2134 O LYS A 131 13.107 1.336 4.197 1.00 0.00 O ATOM 2135 CB LYS A 131 13.111 -1.584 2.814 1.00 0.00 C ATOM 2136 CG LYS A 131 12.621 -3.008 3.017 1.00 0.00 C ATOM 2137 CD LYS A 131 13.742 -4.016 2.824 1.00 0.00 C ATOM 2138 CE LYS A 131 13.196 -5.414 2.574 1.00 0.00 C ATOM 2139 NZ LYS A 131 14.158 -6.468 3.000 1.00 0.00 N ATOM 0 H LYS A 131 12.003 -0.774 5.200 1.00 0.00 H new ATOM 0 HA LYS A 131 14.722 -1.441 4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.272 -0.961 2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 131 13.836 -1.571 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.206 -3.112 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.815 -3.220 2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 131 14.366 -3.712 1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.380 -4.026 3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.257 -5.539 3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 131 12.973 -5.533 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 13.750 -7.406 2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 15.045 -6.364 2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.352 -6.371 4.017 1.00 0.00 H new ATOM 2153 N ASP A 132 15.115 0.880 3.292 1.00 0.00 N ATOM 2154 CA ASP A 132 15.440 2.278 3.037 1.00 0.00 C ATOM 2155 C ASP A 132 14.937 2.712 1.663 1.00 0.00 C ATOM 2156 O ASP A 132 15.499 2.330 0.636 1.00 0.00 O ATOM 2157 CB ASP A 132 16.951 2.499 3.133 1.00 0.00 C ATOM 2158 CG ASP A 132 17.516 2.058 4.469 1.00 0.00 C ATOM 2159 OD1 ASP A 132 16.756 2.043 5.459 1.00 0.00 O ATOM 2160 OD2 ASP A 132 18.720 1.728 4.524 1.00 0.00 O ATOM 0 H ASP A 132 15.837 0.220 3.003 1.00 0.00 H new ATOM 0 HA ASP A 132 14.943 2.884 3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 132 17.447 1.950 2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 132 17.171 3.555 2.979 1.00 0.00 H new ATOM 2165 N LEU A 133 13.875 3.509 1.653 1.00 0.00 N ATOM 2166 CA LEU A 133 13.294 3.994 0.405 1.00 0.00 C ATOM 2167 C LEU A 133 14.378 4.247 -0.637 1.00 0.00 C ATOM 2168 O LEU A 133 15.084 5.255 -0.583 1.00 0.00 O ATOM 2169 CB LEU A 133 12.500 5.278 0.654 1.00 0.00 C ATOM 2170 CG LEU A 133 11.222 5.127 1.480 1.00 0.00 C ATOM 2171 CD1 LEU A 133 10.874 6.437 2.170 1.00 0.00 C ATOM 2172 CD2 LEU A 133 10.070 4.663 0.600 1.00 0.00 C ATOM 0 H LEU A 133 13.398 3.833 2.494 1.00 0.00 H new ATOM 0 HA LEU A 133 12.621 3.226 0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.152 5.993 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 133 12.236 5.711 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 133 11.395 4.371 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 133 9.962 6.310 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 133 11.690 6.728 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 133 10.720 7.213 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.169 4.561 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 133 9.897 5.395 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.318 3.700 0.153 1.00 0.00 H new ATOM 2184 N LYS A 134 14.504 3.327 -1.588 1.00 0.00 N ATOM 2185 CA LYS A 134 15.499 3.451 -2.646 1.00 0.00 C ATOM 2186 C LYS A 134 15.267 4.717 -3.466 1.00 0.00 C ATOM 2187 O LYS A 134 14.166 5.266 -3.506 1.00 0.00 O ATOM 2188 CB LYS A 134 15.457 2.224 -3.560 1.00 0.00 C ATOM 2189 CG LYS A 134 16.177 1.015 -2.988 1.00 0.00 C ATOM 2190 CD LYS A 134 17.686 1.175 -3.070 1.00 0.00 C ATOM 2191 CE LYS A 134 18.397 0.251 -2.092 1.00 0.00 C ATOM 2192 NZ LYS A 134 19.726 0.788 -1.690 1.00 0.00 N ATOM 0 H LYS A 134 13.929 2.487 -1.647 1.00 0.00 H new ATOM 0 HA LYS A 134 16.482 3.516 -2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.417 1.960 -3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 134 15.903 2.481 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 134 15.881 0.872 -1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.875 0.120 -3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 134 18.021 0.961 -4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 134 17.956 2.209 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 134 17.777 0.114 -1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 134 18.524 -0.731 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 20.179 0.130 -1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 20.326 0.895 -2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 19.602 1.714 -1.233 1.00 0.00 H new ATOM 2206 N PRO A 135 16.327 5.191 -4.138 1.00 0.00 N ATOM 2207 CA PRO A 135 16.262 6.395 -4.970 1.00 0.00 C ATOM 2208 C PRO A 135 15.433 6.184 -6.233 1.00 0.00 C ATOM 2209 O PRO A 135 15.937 5.691 -7.242 1.00 0.00 O ATOM 2210 CB PRO A 135 17.727 6.657 -5.330 1.00 0.00 C ATOM 2211 CG PRO A 135 18.384 5.323 -5.235 1.00 0.00 C ATOM 2212 CD PRO A 135 17.669 4.586 -4.136 1.00 0.00 C ATOM 0 HA PRO A 135 15.781 7.224 -4.450 1.00 0.00 H new ATOM 0 HB2 PRO A 135 17.820 7.074 -6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 135 18.182 7.372 -4.644 1.00 0.00 H new ATOM 0 HG2 PRO A 135 18.310 4.783 -6.179 1.00 0.00 H new ATOM 0 HG3 PRO A 135 19.445 5.426 -5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 135 17.627 3.515 -4.332 1.00 0.00 H new ATOM 0 HD3 PRO A 135 18.167 4.715 -3.175 1.00 0.00 H new ATOM 2220 N SER A 136 14.160 6.560 -6.169 1.00 0.00 N ATOM 2221 CA SER A 136 13.260 6.408 -7.306 1.00 0.00 C ATOM 2222 C SER A 136 13.861 7.034 -8.561 1.00 0.00 C ATOM 2223 O SER A 136 13.426 6.755 -9.678 1.00 0.00 O ATOM 2224 CB SER A 136 11.905 7.050 -7.001 1.00 0.00 C ATOM 2225 OG SER A 136 11.907 8.427 -7.334 1.00 0.00 O ATOM 0 H SER A 136 13.729 6.972 -5.342 1.00 0.00 H new ATOM 0 HA SER A 136 13.117 5.342 -7.485 1.00 0.00 H new ATOM 0 HB2 SER A 136 11.122 6.538 -7.561 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.671 6.929 -5.943 1.00 0.00 H new ATOM 0 HG SER A 136 11.879 8.962 -6.513 1.00 0.00 H new